2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile

C15H10N2O2 — CID 118902982

IUPAC2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile
SMILESCOc1ccc2nc(-c3ccccc3C#N)oc2c1
InChIInChI=1S/C15H10N2O2/c1-18-11-6-7-13-14(8-11)19-15(17-13)12-5-3-2-4-10(12)9-16/h2-8H,1H3
InChIKeyXIHHXXIPBVQUSO-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.38
Rot. Bonds2

About 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile

2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile (PubChem CID 118902982) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile
PubChem CID118902982
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile
SMILESCOc1ccc2nc(-c3ccccc3C#N)oc2c1
InChIInChI=1S/C15H10N2O2/c1-18-11-6-7-13-14(8-11)19-15(17-13)12-5-3-2-4-10(12)9-16/h2-8H,1H3
InChIKeyXIHHXXIPBVQUSO-UHFFFAOYSA-N
XLogP3.38
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxyphenol;2-formylbenzonitrile;methane;2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile
CID 160948227
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9325948
[2-(6-methyl-1,3-benzoxazol-2-yl)phenyl] 2-cyanobenzenesulfonate
CID 91635904
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
CID 59203844
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 24780658
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
2-(5-methyl-1,3-oxazol-2-yl)benzonitrile
CID 84659525
6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile?
The IUPAC name of 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile (CID 118902982) is 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile.
What is the SMILES notation for 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile?
The canonical SMILES for 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile is COc1ccc2nc(-c3ccccc3C#N)oc2c1.
What is the InChIKey of 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile?
The InChIKey is XIHHXXIPBVQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c1-18-11-6-7-13-14(8-11)19-15(17-13)12-5-3-2-4-10(12)9-16/h2-8H,1H3.
What are the key properties of 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile?
2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile has a molecular weight of 250.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,3-benzoxazol-2-yl)benzonitrile is sourced from PubChem (CID 118902982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).