2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide

C14H18N2O3 — CID 110774091

IUPAC2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C14H18N2O3/c1-9(2)8-15-13(17)7-10-4-5-12-11(6-10)16(3)14(18)19-12/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyAJPJKSRXLTVWFR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.45
Rot. Bonds4

About 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide

2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide (PubChem CID 110774091) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
PubChem CID110774091
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C14H18N2O3/c1-9(2)8-15-13(17)7-10-4-5-12-11(6-10)16(3)14(18)19-12/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyAJPJKSRXLTVWFR-UHFFFAOYSA-N
XLogP1.45
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110786905
methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774208
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683389
2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanoic acid
CID 116926949
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110774189
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide (CID 110774091) is 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is AJPJKSRXLTVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)8-15-13(17)7-10-4-5-12-11(6-10)16(3)14(18)19-12/h4-6,9H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide?
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 110774091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).