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

C13H16N2O3 — CID 110792023

IUPAC2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H16N2O3/c1-8(2)12(16)14-6-5-9-3-4-10-11(7-9)18-13(17)15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKQPHQZODADQTFZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.44
Rot. Bonds4

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

2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide (PubChem CID 110792023) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
PubChem CID110792023
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H16N2O3/c1-8(2)12(16)14-6-5-9-3-4-10-11(7-9)18-13(17)15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKQPHQZODADQTFZ-UHFFFAOYSA-N
XLogP1.44
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
2-methyl-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]propanoic acid
CID 115128107
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792059
6-[2-[(3-amino-2-methylpropyl)amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115198782
6-[2-(hydrazinylmethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115261171
[3-(2-oxo-3H-1,3-benzoxazol-6-yl)propylamino] acetate
CID 20613951
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
6-[2-(2-aminoethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115195471
N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide (CID 110792023) is 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide is CC(C)C(=O)NCCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
The InChIKey is KQPHQZODADQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)12(16)14-6-5-9-3-4-10-11(7-9)18-13(17)15-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide?
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110792023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).