tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C156H203ClN24O20 — CID 157050180

IUPACtert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1COCC#Cc1ccccc1.CC(C)N1C[C@H](NC(=O)c2cc(C3CC3)on2)C[C@H]1COCC#Cc1ccccc1.CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)c3ccccc3)N(C3CC3)C2)no1.C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2cnc3ncccn23)C[C@H]1CC(=O)c1cc(C2CC2)on1
InChIInChI=1S/2C24H29N3O3.C23H36N4O4.C23H35N3O3.C23H29N3O3.C20H23N5O2.C19H22ClN3O2/c2*1-17(2)27-15-20(25-24(28)22-14-23(30-26-22)19-10-11-19)13-21(27)16-29-12-6-9-18-7-4-3-5-8-18;1-15-12-26(13-16-7-9-27(10-8-16)22(29)30-23(2,3)4)14-19(15)24-21(28)18-11-20(31-25-18)17-5-6-17;2*1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;1-13-10-24(12-16-9-22-20-21-5-2-6-25(16)20)11-15(13)7-18(26)17-8-19(27-23-17)14-3-4-14;1-12-9-23(10-13-2-6-15(20)7-3-13)11-17(12)21-19(24)16-8-18(25-22-16)14-4-5-14/h2*3-5,7-8,14,17,19-21H,10-13,15-16H2,1-2H3,(H,25,28);11,15-17,19H,5-10,12-14H2,1-4H3,(H,24,28);13,15-19H,3-12,14H2,1-2H3,(H,24,28);3-7,13,15,17-19H,8-12,14H2,1-2H3,(H,24,28);2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3;2-3,6-8,12,14,17H,4-5,9-11H2,1H3,(H,21,24)/t2*20-,21+;15-,19+;2*17-,19+;13-,15+;12-,17+/m1001100/s1
InChIKeyAACLAERQBAWEQU-IYKCWSMZSA-N
MW2769.94 g/mol
LogP23.90
Rot. Bonds46

About tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 157050180) has the molecular formula C156H203ClN24O20 and a molecular weight of 2769.94 g/mol. Its IUPAC name is tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID157050180
Molecular FormulaC156H203ClN24O20
Molecular Weight2769.94 g/mol
Exact Mass2767.53
IUPAC Nametert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1COCC#Cc1ccccc1.CC(C)N1C[C@H](NC(=O)c2cc(C3CC3)on2)C[C@H]1COCC#Cc1ccccc1.CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)c3ccccc3)N(C3CC3)C2)no1.C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2cnc3ncccn23)C[C@H]1CC(=O)c1cc(C2CC2)on1
InChIInChI=1S/2C24H29N3O3.C23H36N4O4.C23H35N3O3.C23H29N3O3.C20H23N5O2.C19H22ClN3O2/c2*1-17(2)27-15-20(25-24(28)22-14-23(30-26-22)19-10-11-19)13-21(27)16-29-12-6-9-18-7-4-3-5-8-18;1-15-12-26(13-16-7-9-27(10-8-16)22(29)30-23(2,3)4)14-19(15)24-21(28)18-11-20(31-25-18)17-5-6-17;2*1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;1-13-10-24(12-16-9-22-20-21-5-2-6-25(16)20)11-15(13)7-18(26)17-8-19(27-23-17)14-3-4-14;1-12-9-23(10-13-2-6-15(20)7-3-13)11-17(12)21-19(24)16-8-18(25-22-16)14-4-5-14/h2*3-5,7-8,14,17,19-21H,10-13,15-16H2,1-2H3,(H,25,28);11,15-17,19H,5-10,12-14H2,1-4H3,(H,24,28);13,15-19H,3-12,14H2,1-2H3,(H,24,28);3-7,13,15,17-19H,8-12,14H2,1-2H3,(H,24,28);2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3;2-3,6-8,12,14,17H,4-5,9-11H2,1H3,(H,21,24)/t2*20-,21+;15-,19+;2*17-,19+;13-,15+;12-,17+/m1001100/s1
InChIKeyAACLAERQBAWEQU-IYKCWSMZSA-N
XLogP23.90
TPSA508.89 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds46
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002769.94
LogP ≤ 523.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 157050180) is tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)N1C[C@@H](NC(=O)c2cc(C3CC3)on2)C[C@@H]1COCC#Cc1ccccc1.CC(C)N1C[C@H](NC(=O)c2cc(C3CC3)on2)C[C@H]1COCC#Cc1ccccc1.CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)c3ccccc3)N(C3CC3)C2)no1.C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@H]1CN(Cc2cnc3ncccn23)C[C@H]1CC(=O)c1cc(C2CC2)on1.
What is the InChIKey of tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AACLAERQBAWEQU-IYKCWSMZSA-N. The full InChI is InChI=1S/2C24H29N3O3.C23H36N4O4.C23H35N3O3.C23H29N3O3.C20H23N5O2.C19H22ClN3O2/c2*1-17(2)27-15-20(25-24(28)22-14-23(30-26-22)19-10-11-19)13-21(27)16-29-12-6-9-18-7-4-3-5-8-18;1-15-12-26(13-16-7-9-27(10-8-16)22(29)30-23(2,3)4)14-19(15)24-21(28)18-11-20(31-25-18)17-5-6-17;2*1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16;1-13-10-24(12-16-9-22-20-21-5-2-6-25(16)20)11-15(13)7-18(26)17-8-19(27-23-17)14-3-4-14;1-12-9-23(10-13-2-6-15(20)7-3-13)11-17(12)21-19(24)16-8-18(25-22-16)14-4-5-14/h2*3-5,7-8,14,17,19-21H,10-13,15-16H2,1-2H3,(H,25,28);11,15-17,19H,5-10,12-14H2,1-4H3,(H,24,28);13,15-19H,3-12,14H2,1-2H3,(H,24,28);3-7,13,15,17-19H,8-12,14H2,1-2H3,(H,24,28);2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3;2-3,6-8,12,14,17H,4-5,9-11H2,1H3,(H,21,24)/t2*20-,21+;15-,19+;2*17-,19+;13-,15+;12-,17+/m1001100/s1.
What are the key properties of tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 2769.94 g/mol, XLogP of 23.90, 46 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3S,4S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate;N-[(3S,4S)-1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-[(3S,4R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-methylpyrrolidin-3-yl]ethanone;N-[(3R,5S)-1-cyclopropyl-5-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,5S)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,5R)-5-(3-phenylprop-2-ynoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157050180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).