4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile

C14H8N2O2 — CID 165357068

IUPAC4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3o2)c(O)c1
InChIInChI=1S/C14H8N2O2/c15-8-9-5-6-10(12(17)7-9)14-16-11-3-1-2-4-13(11)18-14/h1-7,17H
InChIKeyCMDNAOKKAFEDRN-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.07
Rot. Bonds1

About 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile

4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile (PubChem CID 165357068) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
PubChem CID165357068
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3o2)c(O)c1
InChIInChI=1S/C14H8N2O2/c15-8-9-5-6-10(12(17)7-9)14-16-11-3-1-2-4-13(11)18-14/h1-7,17H
InChIKeyCMDNAOKKAFEDRN-UHFFFAOYSA-N
XLogP3.07
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile
CID 137169487
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
5-(1,3-benzoxazol-2-yl)thiophene-3-carbonitrile
CID 126512961
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
3-(1,3-benzoxazol-2-yl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carbonitrile
CID 21413796
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methylbenzonitrile
CID 114483966
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
CID 136600254

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile (CID 165357068) is 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile is N#Cc1ccc(-c2nc3ccccc3o2)c(O)c1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile?
The InChIKey is CMDNAOKKAFEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c15-8-9-5-6-10(12(17)7-9)14-16-11-3-1-2-4-13(11)18-14/h1-7,17H.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile?
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile has a molecular weight of 236.23 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile is sourced from PubChem (CID 165357068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).