2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide

C13H16N2O3 — CID 67785722

IUPAC2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C13H16N2O3/c1-8(2)13(17)14-6-5-12-15-10-4-3-9(16)7-11(10)18-12/h3-4,8H,5-7H2,1-2H3,(H,14,17)
InChIKeyCIIIHZWKNHZXOP-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.13
Rot. Bonds4

About 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide

2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide (PubChem CID 67785722) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide
PubChem CID67785722
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C13H16N2O3/c1-8(2)13(17)14-6-5-12-15-10-4-3-9(16)7-11(10)18-12/h3-4,8H,5-7H2,1-2H3,(H,14,17)
InChIKeyCIIIHZWKNHZXOP-UHFFFAOYSA-N
XLogP1.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide (CID 67785722) is 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide is CC(C)C(=O)NCCc1nc2c(o1)CC(=O)C=C2.
What is the InChIKey of 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide?
The InChIKey is CIIIHZWKNHZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)13(17)14-6-5-12-15-10-4-3-9(16)7-11(10)18-12/h3-4,8H,5-7H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide?
2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 67785722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).