(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde

C164H181F6N9O28Si — CID 159273569

IUPAC(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde
SMILESCOCN(Cc1ccccc1)C[Si](C)(C)C.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@H]2CN(Cc3ccccc3)C[C@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.Cc1ccc(/C=C(\F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.Cc1ccc(/C=C(\F)C(=O)O)cc1.Cc1ccc(C=O)cc1.O=C1C[C@H](Cc2ccccc2)CO1
InChIInChI=1S/2C29H29FN2O4.C27H31FN2O6.C20H18FNO3.C17H22FNO5.C13H23NOSi.C11H12O2.C10H9FO2.C8H8O/c2*1-35-25-14-12-23(13-15-25)26-18-31(17-22-10-6-3-7-11-22)20-29(26,30)27(33)32-24(19-36-28(32)34)16-21-8-4-2-5-9-21;1-26(2,3)36-24(32)29-15-22(19-10-12-21(34-4)13-11-19)27(28,17-29)23(31)30-20(16-35-25(30)33)14-18-8-6-5-7-9-18;1-14-7-9-16(10-8-14)12-18(21)19(23)22-17(13-25-20(22)24)11-15-5-3-2-4-6-15;1-16(2,3)24-15(22)19-9-13(17(18,10-19)14(20)21)11-5-7-12(23-4)8-6-11;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13;12-11-7-10(8-13-11)6-9-4-2-1-3-5-9;1-7-2-4-8(5-3-7)6-9(11)10(12)13;1-7-2-4-8(6-9)5-3-7/h2*2-15,24,26H,16-20H2,1H3;5-13,20,22H,14-17H2,1-4H3;2-10,12,17H,11,13H2,1H3;5-8,13H,9-10H2,1-4H3,(H,20,21);5-9H,10-12H2,1-4H3;1-5,10H,6-8H2;2-6H,1H3,(H,12,13);2-6H,1H3/b;;;18-12-;;;;9-6-;/t24-,26+,29+;24-,26-,29-;20-,22+,27+;17-;13-,17-;;10-;;/m11110.0../s1
InChIKeyKXZXJNLPYMHBAJ-DPIVWSRPSA-N
MW2868.36 g/mol
LogP29.19
Rot. Bonds37

About (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde

(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde (PubChem CID 159273569) has the molecular formula C164H181F6N9O28Si and a molecular weight of 2868.36 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde
PubChem CID159273569
Molecular FormulaC164H181F6N9O28Si
Molecular Weight2868.36 g/mol
Exact Mass2866.27
IUPAC Name(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde
SMILESCOCN(Cc1ccccc1)C[Si](C)(C)C.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@H]2CN(Cc3ccccc3)C[C@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.Cc1ccc(/C=C(\F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.Cc1ccc(/C=C(\F)C(=O)O)cc1.Cc1ccc(C=O)cc1.O=C1C[C@H](Cc2ccccc2)CO1
InChIInChI=1S/2C29H29FN2O4.C27H31FN2O6.C20H18FNO3.C17H22FNO5.C13H23NOSi.C11H12O2.C10H9FO2.C8H8O/c2*1-35-25-14-12-23(13-15-25)26-18-31(17-22-10-6-3-7-11-22)20-29(26,30)27(33)32-24(19-36-28(32)34)16-21-8-4-2-5-9-21;1-26(2,3)36-24(32)29-15-22(19-10-12-21(34-4)13-11-19)27(28,17-29)23(31)30-20(16-35-25(30)33)14-18-8-6-5-7-9-18;1-14-7-9-16(10-8-14)12-18(21)19(23)22-17(13-25-20(22)24)11-15-5-3-2-4-6-15;1-16(2,3)24-15(22)19-9-13(17(18,10-19)14(20)21)11-5-7-12(23-4)8-6-11;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13;12-11-7-10(8-13-11)6-9-4-2-1-3-5-9;1-7-2-4-8(5-3-7)6-9(11)10(12)13;1-7-2-4-8(6-9)5-3-7/h2*2-15,24,26H,16-20H2,1H3;5-13,20,22H,14-17H2,1-4H3;2-10,12,17H,11,13H2,1H3;5-8,13H,9-10H2,1-4H3,(H,20,21);5-9H,10-12H2,1-4H3;1-5,10H,6-8H2;2-6H,1H3,(H,12,13);2-6H,1H3/b;;;18-12-;;;;9-6-;/t24-,26+,29+;24-,26-,29-;20-,22+,27+;17-;13-,17-;;10-;;/m11110.0../s1
InChIKeyKXZXJNLPYMHBAJ-DPIVWSRPSA-N
XLogP29.19
TPSA419.36 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002868.36
LogP ≤ 529.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde with MolForge

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Launch Full Analysis

Related Compounds

CID 158210122
CID 158210122
(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine
CID 160598631
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 161311823

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde?
The IUPAC name of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde (CID 159273569) is (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde.
What is the SMILES notation for (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde?
The canonical SMILES for (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde is COCN(Cc1ccccc1)C[Si](C)(C)C.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(F)C(=O)O)cc1.COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@H]2CN(Cc3ccccc3)C[C@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.Cc1ccc(/C=C(\F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.Cc1ccc(/C=C(\F)C(=O)O)cc1.Cc1ccc(C=O)cc1.O=C1C[C@H](Cc2ccccc2)CO1.
What is the InChIKey of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde?
The InChIKey is KXZXJNLPYMHBAJ-DPIVWSRPSA-N. The full InChI is InChI=1S/2C29H29FN2O4.C27H31FN2O6.C20H18FNO3.C17H22FNO5.C13H23NOSi.C11H12O2.C10H9FO2.C8H8O/c2*1-35-25-14-12-23(13-15-25)26-18-31(17-22-10-6-3-7-11-22)20-29(26,30)27(33)32-24(19-36-28(32)34)16-21-8-4-2-5-9-21;1-26(2,3)36-24(32)29-15-22(19-10-12-21(34-4)13-11-19)27(28,17-29)23(31)30-20(16-35-25(30)33)14-18-8-6-5-7-9-18;1-14-7-9-16(10-8-14)12-18(21)19(23)22-17(13-25-20(22)24)11-15-5-3-2-4-6-15;1-16(2,3)24-15(22)19-9-13(17(18,10-19)14(20)21)11-5-7-12(23-4)8-6-11;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13;12-11-7-10(8-13-11)6-9-4-2-1-3-5-9;1-7-2-4-8(5-3-7)6-9(11)10(12)13;1-7-2-4-8(6-9)5-3-7/h2*2-15,24,26H,16-20H2,1H3;5-13,20,22H,14-17H2,1-4H3;2-10,12,17H,11,13H2,1H3;5-8,13H,9-10H2,1-4H3,(H,20,21);5-9H,10-12H2,1-4H3;1-5,10H,6-8H2;2-6H,1H3,(H,12,13);2-6H,1H3/b;;;18-12-;;;;9-6-;/t24-,26+,29+;24-,26-,29-;20-,22+,27+;17-;13-,17-;;10-;;/m11110.0../s1.
What are the key properties of (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde?
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde has a molecular weight of 2868.36 g/mol, XLogP of 29.19, 37 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde is sourced from PubChem (CID 159273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).