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

C29H29N3O4 — CID 42840724

IUPAC3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCC2CC2)cc1
InChIInChI=1S/C29H29N3O4/c33-25(17-20-7-3-1-4-8-20)31-24-15-13-23(14-16-24)27-26(28(34)30-18-21-11-12-21)32(29(35)36-27)19-22-9-5-2-6-10-22/h1-10,13-16,21,26-27H,11-12,17-19H2,(H,30,34)(H,31,33)
InChIKeyLZZBWFRVWKDVJZ-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.46
Rot. Bonds9

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

3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42840724) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID42840724
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCC2CC2)cc1
InChIInChI=1S/C29H29N3O4/c33-25(17-20-7-3-1-4-8-20)31-24-15-13-23(14-16-24)27-26(28(34)30-18-21-11-12-21)32(29(35)36-27)19-22-9-5-2-6-10-22/h1-10,13-16,21,26-27H,11-12,17-19H2,(H,30,34)(H,31,33)
InChIKeyLZZBWFRVWKDVJZ-UHFFFAOYSA-N
XLogP4.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840718
5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840826
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202179
(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)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203419
(4R,5S)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-N-[(1S)-1-phenylethyl]-1,3-oxazolidine-4-carboxamide
CID 98422904
(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202485
3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840739
(4S,5S)-3-benzyl-N-[(2S)-butan-2-yl]-5-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201242
(4S,5R)-3-benzyl-N-[(2S)-butan-2-yl]-5-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 99768280
(4S,5S)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93200917

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide (CID 42840724) is 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is O=C(Cc1ccccc1)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCC2CC2)cc1.
What is the InChIKey of 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is LZZBWFRVWKDVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c33-25(17-20-7-3-1-4-8-20)31-24-15-13-23(14-16-24)27-26(28(34)30-18-21-11-12-21)32(29(35)36-27)19-22-9-5-2-6-10-22/h1-10,13-16,21,26-27H,11-12,17-19H2,(H,30,34)(H,31,33).
What are the key properties of 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide?
3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).