2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide

C17H13N3O2 — CID 168522173

IUPAC2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCc1ccc(-c2nc3cc(NC(=O)CC#N)ccc3o2)cc1
InChIInChI=1S/C17H13N3O2/c1-11-2-4-12(5-3-11)17-20-14-10-13(6-7-15(14)22-17)19-16(21)8-9-18/h2-7,10H,8H2,1H3,(H,19,21)
InChIKeyKSEQTJWFHLFVIJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.66
Rot. Bonds3

About 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide

2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 168522173) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID168522173
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCc1ccc(-c2nc3cc(NC(=O)CC#N)ccc3o2)cc1
InChIInChI=1S/C17H13N3O2/c1-11-2-4-12(5-3-11)17-20-14-10-13(6-7-15(14)22-17)19-16(21)8-9-18/h2-7,10H,8H2,1H3,(H,19,21)
InChIKeyKSEQTJWFHLFVIJ-UHFFFAOYSA-N
XLogP3.66
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168521686
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
[2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-2-oxoethyl] thiocyanate
CID 91683600
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 168522807
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 168522173) is 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide is Cc1ccc(-c2nc3cc(NC(=O)CC#N)ccc3o2)cc1.
What is the InChIKey of 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is KSEQTJWFHLFVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-2-4-12(5-3-11)17-20-14-10-13(6-7-15(14)22-17)19-16(21)8-9-18/h2-7,10H,8H2,1H3,(H,19,21).
What are the key properties of 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 291.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 168522173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).