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

C24H27N3O4 — CID 42840826

IUPAC5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)NCC2CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-15-4-3-5-18(12-15)14-27-21(23(29)25-13-17-6-7-17)22(31-24(27)30)19-8-10-20(11-9-19)26-16(2)28/h3-5,8-12,17,21-22H,6-7,13-14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyDXRYMTUCLCENMB-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.54
Rot. Bonds7

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

5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840826) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID42840826
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)NCC2CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-15-4-3-5-18(12-15)14-27-21(23(29)25-13-17-6-7-17)22(31-24(27)30)19-8-10-20(11-9-19)26-16(2)28/h3-5,8-12,17,21-22H,6-7,13-14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyDXRYMTUCLCENMB-UHFFFAOYSA-N
XLogP3.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201495
5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840818
(4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203419
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
3-benzyl-N-(cyclopropylmethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840724
(4R,5R)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202579
(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202485
5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840882
5-[4-(3-methylbutanoylamino)phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 42840859
N-(4-fluorophenyl)-5-[4-(3-methylbutanoylamino)phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021108
3-[(3-methylphenyl)methyl]-2-oxo-N-(1-phenylethyl)-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840873
(4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201336

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840826) is 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)NCC2CC2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is DXRYMTUCLCENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15-4-3-5-18(12-15)14-27-21(23(29)25-13-17-6-7-17)22(31-24(27)30)19-8-10-20(11-9-19)26-16(2)28/h3-5,8-12,17,21-22H,6-7,13-14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).