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

C12H14N2O2 — CID 15167155

IUPAC2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8(2)13-12(15)7-10-9-5-3-4-6-11(9)16-14-10/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyGEYCVMFTMFQRNW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.89
Rot. Bonds3

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

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 15167155) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
PubChem CID15167155
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8(2)13-12(15)7-10-9-5-3-4-6-11(9)16-14-10/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyGEYCVMFTMFQRNW-UHFFFAOYSA-N
XLogP1.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46480330
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
CID 9152218
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938300
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 51095203
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43082127

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide (CID 15167155) is 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is GEYCVMFTMFQRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)13-12(15)7-10-9-5-3-4-6-11(9)16-14-10/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide?
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 15167155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).