2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C18H15N3O2 — CID 168522807

IUPAC2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)CC#N)c3C)nc2c1
InChIInChI=1S/C18H15N3O2/c1-11-6-7-16-15(10-11)21-18(23-16)13-4-3-5-14(12(13)2)20-17(22)8-9-19/h3-7,10H,8H2,1-2H3,(H,20,22)
InChIKeyHKKALWGLCIQSKK-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.96
Rot. Bonds3

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

2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 168522807) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID168522807
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)CC#N)c3C)nc2c1
InChIInChI=1S/C18H15N3O2/c1-11-6-7-16-15(10-11)21-18(23-16)13-4-3-5-14(12(13)2)20-17(22)8-9-19/h3-7,10H,8H2,1-2H3,(H,20,22)
InChIKeyHKKALWGLCIQSKK-UHFFFAOYSA-N
XLogP3.96
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
2-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]propanedinitrile
CID 168544011
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]propanamide
CID 5343935
2-(4-chloro-3-methylphenoxy)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1362838
[2-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-2-oxoethyl] thiocyanate
CID 91683744
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683695
3-(furan-2-yl)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 1109872
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4625308

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 168522807) is 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1ccc2oc(-c3cccc(NC(=O)CC#N)c3C)nc2c1.
What is the InChIKey of 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is HKKALWGLCIQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-6-7-16-15(10-11)21-18(23-16)13-4-3-5-14(12(13)2)20-17(22)8-9-19/h3-7,10H,8H2,1-2H3,(H,20,22).
What are the key properties of 2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.96, 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-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 168522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).