N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide

C12H12N2O4 — CID 115175819

IUPACN-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
SMILESCC(=O)C(=O)N(C)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H12N2O4/c1-7(15)11(16)14(2)6-8-3-4-10-9(5-8)13-12(17)18-10/h3-5H,6H2,1-2H3,(H,13,17)
InChIKeyPVZYDUVTRCJSGH-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.67
Rot. Bonds3

About N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide

N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide (PubChem CID 115175819) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
PubChem CID115175819
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
SMILESCC(=O)C(=O)N(C)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H12N2O4/c1-7(15)11(16)14(2)6-8-3-4-10-9(5-8)13-12(17)18-10/h3-5H,6H2,1-2H3,(H,13,17)
InChIKeyPVZYDUVTRCJSGH-UHFFFAOYSA-N
XLogP0.67
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]acetamide
CID 115173219
2-methyl-3-[methyl-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]amino]propanoic acid
CID 115219509
5-[[(4-hydroxy-2-methylbutan-2-yl)-methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115134173
4-[methyl-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]amino]-3-oxobutanenitrile
CID 117038503
1,3-dimethyl-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169282
N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115152122
3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115153102
2-hydroxy-N-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115140837
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774013
6-[[methyl(3-oxobutyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115235843
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110773977

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
The IUPAC name of N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide (CID 115175819) is N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
The canonical SMILES for N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide is CC(=O)C(=O)N(C)Cc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
The InChIKey is PVZYDUVTRCJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7(15)11(16)14(2)6-8-3-4-10-9(5-8)13-12(17)18-10/h3-5H,6H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide has a molecular weight of 248.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 115175819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).