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

C12H14N2O2 — CID 108790457

IUPACN-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCCNC(=O)Cc1noc2ccc(C)cc12
InChIInChI=1S/C12H14N2O2/c1-3-13-12(15)7-10-9-6-8(2)4-5-11(9)16-14-10/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyWLQLWWRABRKNLA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.81
Rot. Bonds3

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

N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108790457) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108790457
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCCNC(=O)Cc1noc2ccc(C)cc12
InChIInChI=1S/C12H14N2O2/c1-3-13-12(15)7-10-9-6-8(2)4-5-11(9)16-14-10/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyWLQLWWRABRKNLA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 108803195
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790464
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108790457) is N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is CCNC(=O)Cc1noc2ccc(C)cc12.
What is the InChIKey of N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is WLQLWWRABRKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-13-12(15)7-10-9-6-8(2)4-5-11(9)16-14-10/h4-6H,3,7H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108790457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).