3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H15N3O2 — CID 147401409

IUPAC3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1cccc2oc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)nc12
InChIInChI=1S/C22H15N3O2/c1-14-4-2-7-19-20(14)25-22(27-19)16-8-10-18(11-9-16)24-21(26)17-6-3-5-15(12-17)13-23/h2-12H,1H3,(H,24,26)
InChIKeyDOVBJAHZOABWBK-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.93
Rot. Bonds3

About 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 147401409) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID147401409
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1cccc2oc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)nc12
InChIInChI=1S/C22H15N3O2/c1-14-4-2-7-19-20(14)25-22(27-19)16-8-10-18(11-9-16)24-21(26)17-6-3-5-15(12-17)13-23/h2-12H,1H3,(H,24,26)
InChIKeyDOVBJAHZOABWBK-UHFFFAOYSA-N
XLogP4.93
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747975
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427
N-(3-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765337
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
methyl 3-(4-methyl-1,3-benzoxazol-2-yl)benzoate
CID 67279845
3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287309

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 147401409) is 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1cccc2oc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)nc12.
What is the InChIKey of 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is DOVBJAHZOABWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-14-4-2-7-19-20(14)25-22(27-19)16-8-10-18(11-9-16)24-21(26)17-6-3-5-15(12-17)13-23/h2-12H,1H3,(H,24,26).
What are the key properties of 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 147401409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).