2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile

C15H10N2O2 — CID 10149217

IUPAC2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile
SMILESN#CCc1ccc(-c2nc3ccccc3o2)cc1O
InChIInChI=1S/C15H10N2O2/c16-8-7-10-5-6-11(9-13(10)18)15-17-12-3-1-2-4-14(12)19-15/h1-6,9,18H,7H2
InChIKeyLIRNVURRMWNTAV-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.27
Rot. Bonds2

About 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile

2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile (PubChem CID 10149217) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile
PubChem CID10149217
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile
SMILESN#CCc1ccc(-c2nc3ccccc3o2)cc1O
InChIInChI=1S/C15H10N2O2/c16-8-7-10-5-6-11(9-13(10)18)15-17-12-3-1-2-4-14(12)19-15/h1-6,9,18H,7H2
InChIKeyLIRNVURRMWNTAV-UHFFFAOYSA-N
XLogP3.27
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-cyanoacetamide
CID 168522165
4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
CID 135784125
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
CID 165357068
3-(1,3-benzoxazol-2-yl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carbonitrile
CID 21413796
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine
CID 174653712
5-(1,3-benzoxazol-2-yl)-2-butylaniline
CID 159857474
5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
CID 168882947
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile (CID 10149217) is 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile is N#CCc1ccc(-c2nc3ccccc3o2)cc1O.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile?
The InChIKey is LIRNVURRMWNTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c16-8-7-10-5-6-11(9-13(10)18)15-17-12-3-1-2-4-14(12)19-15/h1-6,9,18H,7H2.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile?
2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile has a molecular weight of 250.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile is sourced from PubChem (CID 10149217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).