2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide

C13H16N2O2 — CID 110773772

IUPAC2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1nc2cc(CC(=O)NC(C)C)ccc2o1
InChIInChI=1S/C13H16N2O2/c1-8(2)14-13(16)7-10-4-5-12-11(6-10)15-9(3)17-12/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyXEGROSQDNSCQIH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide

2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 110773772) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
PubChem CID110773772
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
SMILESCc1nc2cc(CC(=O)NC(C)C)ccc2o1
InChIInChI=1S/C13H16N2O2/c1-8(2)14-13(16)7-10-4-5-12-11(6-10)15-9(3)17-12/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyXEGROSQDNSCQIH-UHFFFAOYSA-N
XLogP2.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 115219951
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110773923
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886
2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773873

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide (CID 110773772) is 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide is Cc1nc2cc(CC(=O)NC(C)C)ccc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is XEGROSQDNSCQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)14-13(16)7-10-4-5-12-11(6-10)15-9(3)17-12/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 232.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110773772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).