(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide

C32H29N3O4 — CID 93202179

IUPAC(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C32H29N3O4/c36-28(19-23-11-4-1-5-12-23)34-27-18-10-17-26(20-27)30-29(31(37)33-21-24-13-6-2-7-14-24)35(32(38)39-30)22-25-15-8-3-9-16-25/h1-18,20,29-30H,19,21-22H2,(H,33,37)(H,34,36)/t29-,30-/m0/s1
InChIKeyCZWNQGQVSWJAKE-KYJUHHDHSA-N
MW519.60 g/mol
LogP5.25
Rot. Bonds9

About (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide

(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 93202179) has the molecular formula C32H29N3O4 and a molecular weight of 519.60 g/mol. Its IUPAC name is (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID93202179
Molecular FormulaC32H29N3O4
Molecular Weight519.60 g/mol
Exact Mass519.22
IUPAC Name(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C32H29N3O4/c36-28(19-23-11-4-1-5-12-23)34-27-18-10-17-26(20-27)30-29(31(37)33-21-24-13-6-2-7-14-24)35(32(38)39-30)22-25-15-8-3-9-16-25/h1-18,20,29-30H,19,21-22H2,(H,33,37)(H,34,36)/t29-,30-/m0/s1
InChIKeyCZWNQGQVSWJAKE-KYJUHHDHSA-N
XLogP5.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-N-benzyl-5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202679
(4R,5R)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202579
3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 46021220
N-[2-(dimethylamino)ethyl]-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841218
(4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202076
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841017
(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202146
(4S,5R)-3-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203006
3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840724
(4R,5R)-3-benzyl-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
CID 93202011
3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841179
3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (CID 93202179) is (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is O=C(Cc1ccccc1)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCc2ccccc2)c1.
What is the InChIKey of (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is CZWNQGQVSWJAKE-KYJUHHDHSA-N. The full InChI is InChI=1S/C32H29N3O4/c36-28(19-23-11-4-1-5-12-23)34-27-18-10-17-26(20-27)30-29(31(37)33-21-24-13-6-2-7-14-24)35(32(38)39-30)22-25-15-8-3-9-16-25/h1-18,20,29-30H,19,21-22H2,(H,33,37)(H,34,36)/t29-,30-/m0/s1.
What are the key properties of (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).