N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide

C24H27N3O4 — CID 42840827

IUPACN-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-16-6-5-7-18(14-16)15-27-21(23(29)26-12-3-4-13-26)22(31-24(27)30)19-8-10-20(11-9-19)25-17(2)28/h5-11,14,21-22H,3-4,12-13,15H2,1-2H3,(H,25,28)
InChIKeyLKRSQFHOKPZNNL-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.64
Rot. Bonds5

About N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide

N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide (PubChem CID 42840827) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
PubChem CID42840827
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-16-6-5-7-18(14-16)15-27-21(23(29)26-12-3-4-13-26)22(31-24(27)30)19-8-10-20(11-9-19)25-17(2)28/h5-11,14,21-22H,3-4,12-13,15H2,1-2H3,(H,25,28)
InChIKeyLKRSQFHOKPZNNL-UHFFFAOYSA-N
XLogP3.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93201653
5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840818
5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840826
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93201661
N-[3-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840882
N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 93202303
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-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
CID 42840686
3-[(3-methylphenyl)methyl]-2-oxo-N-(1-phenylethyl)-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840873
N-(4-fluorophenyl)-5-[4-(3-methylbutanoylamino)phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021108

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide (CID 42840827) is N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
The InChIKey is LKRSQFHOKPZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-6-5-7-18(14-16)15-27-21(23(29)26-12-3-4-13-26)22(31-24(27)30)19-8-10-20(11-9-19)25-17(2)28/h5-11,14,21-22H,3-4,12-13,15H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 42840827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).