2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile

C15H16N2O — CID 23460820

IUPAC2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile
SMILESN#CCc1nc2cc(C3CCCCC3)ccc2o1
InChIInChI=1S/C15H16N2O/c16-9-8-15-17-13-10-12(6-7-14(13)18-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8H2
InChIKeyIVVHGPRKSTZSOW-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.94
Rot. Bonds2

About 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile

2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile (PubChem CID 23460820) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile
PubChem CID23460820
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile
SMILESN#CCc1nc2cc(C3CCCCC3)ccc2o1
InChIInChI=1S/C15H16N2O/c16-9-8-15-17-13-10-12(6-7-14(13)18-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8H2
InChIKeyIVVHGPRKSTZSOW-UHFFFAOYSA-N
XLogP3.94
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile (CID 23460820) is 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile is N#CCc1nc2cc(C3CCCCC3)ccc2o1.
What is the InChIKey of 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile?
The InChIKey is IVVHGPRKSTZSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-9-8-15-17-13-10-12(6-7-14(13)18-15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8H2.
What are the key properties of 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile?
2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1,3-benzoxazol-2-yl)acetonitrile is sourced from PubChem (CID 23460820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).