tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C102H155N19O18S2 — CID 158042145

About tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 158042145) has the molecular formula C102H155N19O18S2 and a molecular weight of 1999.61 g/mol. Its IUPAC name is tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 158042145
• Molecular Formula: C102H155N19O18S2
• Molecular Weight: 1999.61 g/mol
• Exact Mass: 1998.12
• IUPAC Name: tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: C=S1(=O)CCC(N2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)CC1.CC(C)N1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@](C)(O)C1.CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.C[C@@H]1CN(C2CCCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1cc(C2CC2)on1
• InChI: InChI=1S/C22H34N4O4.C18H27N3O3S.C17H25N3O2.C15H23N3O4S.C15H23N3O3.C15H23N3O2/c1-14-12-26(16-7-9-25(10-8-16)21(28)29-22(2,3)4)13-18(14)23-20(27)17-11-19(30-24-17)15-5-6-15;1-12-10-21(14-5-7-25(2,23)8-6-14)11-16(12)19-18(22)15-9-17(24-20-15)13-3-4-13;1-11-9-20(13-4-2-3-5-13)10-15(11)18-17(21)14-8-16(22-19-14)12-6-7-12;1-10-8-18(5-6-23(2,20)21)9-13(10)16-15(19)12-7-14(22-17-12)11-3-4-11;1-9(2)18-7-13(15(3,20)8-18)16-14(19)11-6-12(21-17-11)10-4-5-10;1-3-6-18-8-10(2)13(9-18)16-15(19)12-7-14(20-17-12)11-4-5-11/h11,14-16,18H,5-10,12-13H2,1-4H3,(H,23,27);9,12-14,16H,2-8,10-11H2,1H3,(H,19,22);8,11-13,15H,2-7,9-10H2,1H3,(H,18,21);7,10-11,13H,3-6,8-9H2,1-2H3,(H,16,19);6,9-10,13,20H,4-5,7-8H2,1-3H3,(H,16,19);7,10-11,13H,3-6,8-9H2,1-2H3,(H,16,19)/t14-,18-;12-,14?,16-,25?;11-,15-;10-,13-;13-,15+;10-,13-/m111111/s1
• InChIKey: FIMFDTNKCHTLKD-AVGMVWSISA-N
• XLogP: 10.81
• TPSA: 451.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1999.61
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 158042145) is tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C=S1(=O)CCC(N2C[C@@H](C)[C@H](NC(=O)c3cc(C4CC4)on3)C2)CC1.CC(C)N1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@](C)(O)C1.CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1.C[C@@H]1CN(C2CCCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1cc(C2CC2)on1.

What is the InChIKey of tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is FIMFDTNKCHTLKD-AVGMVWSISA-N. The full InChI is InChI=1S/C22H34N4O4.C18H27N3O3S.C17H25N3O2.C15H23N3O4S.C15H23N3O3.C15H23N3O2/c1-14-12-26(16-7-9-25(10-8-16)21(28)29-22(2,3)4)13-18(14)23-20(27)17-11-19(30-24-17)15-5-6-15;1-12-10-21(14-5-7-25(2,23)8-6-14)11-16(12)19-18(22)15-9-17(24-20-15)13-3-4-13;1-11-9-20(13-4-2-3-5-13)10-15(11)18-17(21)14-8-16(22-19-14)12-6-7-12;1-10-8-18(5-6-23(2,20)21)9-13(10)16-15(19)12-7-14(22-17-12)11-3-4-11;1-9(2)18-7-13(15(3,20)8-18)16-14(19)11-6-12(21-17-11)10-4-5-10;1-3-6-18-8-10(2)13(9-18)16-15(19)12-7-14(20-17-12)11-4-5-11/h11,14-16,18H,5-10,12-13H2,1-4H3,(H,23,27);9,12-14,16H,2-8,10-11H2,1H3,(H,19,22);8,11-13,15H,2-7,9-10H2,1H3,(H,18,21);7,10-11,13H,3-6,8-9H2,1-2H3,(H,16,19);6,9-10,13,20H,4-5,7-8H2,1-3H3,(H,16,19);7,10-11,13H,3-6,8-9H2,1-2H3,(H,16,19)/t14-,18-;12-,14?,16-,25?;11-,15-;10-,13-;13-,15+;10-,13-/m111111/s1.

What are the key properties of tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?

tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 1999.61 g/mol, XLogP of 10.81, 27 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(3S,4R)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylpyrrolidin-1-yl]piperidine-1-carboxylate;N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3R,4S)-4-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(1-methylidene-1-oxothian-4-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158042145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).