2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide

C17H16N2O2 — CID 22519666

IUPAC2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-19(12-13-7-3-2-4-8-13)17(20)11-15-14-9-5-6-10-16(14)21-18-15/h2-10H,11-12H2,1H3
InChIKeyDOBJOAPBLMRACF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.03
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide (PubChem CID 22519666) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
PubChem CID22519666
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-19(12-13-7-3-2-4-8-13)17(20)11-15-14-9-5-6-10-16(14)21-18-15/h2-10H,11-12H2,1H3
InChIKeyDOBJOAPBLMRACF-UHFFFAOYSA-N
XLogP3.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
3-(1,2-benzoxazol-3-ylmethyl)-1-benzyl-1-methylurea
CID 46274750
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
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2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
2-(1,2-benzoxazol-3-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 47042188
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-methoxypropyl)-N-methylacetamide
CID 63398289
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
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2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide (CID 22519666) is 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide?
The InChIKey is DOBJOAPBLMRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(12-13-7-3-2-4-8-13)17(20)11-15-14-9-5-6-10-16(14)21-18-15/h2-10H,11-12H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide?
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide has a molecular weight of 280.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide is sourced from PubChem (CID 22519666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).