5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide

C28H29N3O4 — CID 42841191

IUPAC5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C28H29N3O4/c1-3-16-29-27(33)24-25(35-28(34)31(24)18-20-14-12-19(2)13-15-20)22-10-7-11-23(17-22)30-26(32)21-8-5-4-6-9-21/h4-15,17,24-25H,3,16,18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyGQMONVHDVWFHJU-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.84
Rot. Bonds8

About 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide

5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (PubChem CID 42841191) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
PubChem CID42841191
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C28H29N3O4/c1-3-16-29-27(33)24-25(35-28(34)31(24)18-20-14-12-19(2)13-15-20)22-10-7-11-23(17-22)30-26(32)21-8-5-4-6-9-21/h4-15,17,24-25H,3,16,18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyGQMONVHDVWFHJU-UHFFFAOYSA-N
XLogP4.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93201973
5-(3-benzamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021322
(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202146
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 93202513
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841017
(4R,5S)-5-(3-benzamidophenyl)-N-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202509
(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202500
5-(3-benzamidophenyl)-N,N-diethyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841197
(4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202523
3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840992
(4S,5R)-N-benzyl-5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202679
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (CID 42841191) is 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is CCCNC(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is GQMONVHDVWFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-3-16-29-27(33)24-25(35-28(34)31(24)18-20-14-12-19(2)13-15-20)22-10-7-11-23(17-22)30-26(32)21-8-5-4-6-9-21/h4-15,17,24-25H,3,16,18H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).