N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C13H16N2O3 — CID 47377806

IUPACN-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCOC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-10-3-2-4-11(9-10)14-12(16)5-6-15-7-8-18-13(15)17/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKeySGXDPXXGHNFIIV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.78
Rot. Bonds4

About N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 47377806) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID47377806
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCOC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-10-3-2-4-11(9-10)14-12(16)5-6-15-7-8-18-13(15)17/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKeySGXDPXXGHNFIIV-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686960
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
N-[(2-methylphenyl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686856
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylphenyl)propanamide
CID 98208587
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 47377806) is N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is Cc1cccc(NC(=O)CCN2CCOC2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is SGXDPXXGHNFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10-3-2-4-11(9-10)14-12(16)5-6-15-7-8-18-13(15)17/h2-4,9H,5-8H2,1H3,(H,14,16).
What are the key properties of N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 47377806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).