(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C30H33N3O5 — CID 93201362

IUPAC(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C30H33N3O5/c1-19(2)17-31-29(35)26-27(38-30(36)33(26)18-21-10-8-20(3)9-11-21)22-12-14-24(15-13-22)32-28(34)23-6-5-7-25(16-23)37-4/h5-16,19,26-27H,17-18H2,1-4H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
InChIKeyRPAQWRNKZKFDBE-SXOMAYOGSA-N
MW515.61 g/mol
LogP5.09
Rot. Bonds9

About (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93201362) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID93201362
Molecular FormulaC30H33N3O5
Molecular Weight515.61 g/mol
Exact Mass515.24
IUPAC Name(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C30H33N3O5/c1-19(2)17-31-29(35)26-27(38-30(36)33(26)18-21-10-8-20(3)9-11-21)22-12-14-24(15-13-22)32-28(34)23-6-5-7-25(16-23)37-4/h5-16,19,26-27H,17-18H2,1-4H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
InChIKeyRPAQWRNKZKFDBE-SXOMAYOGSA-N
XLogP5.09
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98422528
5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 46021036
(4S,5R)-3-[(4-fluorophenyl)methyl]-5-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200872
(4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202523
(4R,5S)-3-[(3-methoxyphenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
CID 98424048
(4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201495
(4R,5R)-3-[(4-fluorophenyl)methyl]-5-[4-[(3-methoxybenzoyl)amino]phenyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 98434715
(4S,5R)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98421233
5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840798
5-[3-(3-methylbutanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021295
3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021307
(4S,5S)-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202447

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93201362) is (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is COc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NCC(C)C)cc2)c1.
What is the InChIKey of (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is RPAQWRNKZKFDBE-SXOMAYOGSA-N. The full InChI is InChI=1S/C30H33N3O5/c1-19(2)17-31-29(35)26-27(38-30(36)33(26)18-21-10-8-20(3)9-11-21)22-12-14-24(15-13-22)32-28(34)23-6-5-7-25(16-23)37-4/h5-16,19,26-27H,17-18H2,1-4H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1.
What are the key properties of (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93201362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).