(7-chloro-1,3-benzoxazol-2-yl)methanol

C8H6ClNO2 — CID 130132807

IUPAC(7-chloro-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2cccc(Cl)c2o1
InChIInChI=1S/C8H6ClNO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-3,11H,4H2
InChIKeyTXPMHQYPRFVGNO-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.97
Rot. Bonds1

About (7-chloro-1,3-benzoxazol-2-yl)methanol

(7-chloro-1,3-benzoxazol-2-yl)methanol (PubChem CID 130132807) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is (7-chloro-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1,3-benzoxazol-2-yl)methanol
PubChem CID130132807
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name(7-chloro-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2cccc(Cl)c2o1
InChIInChI=1S/C8H6ClNO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-3,11H,4H2
InChIKeyTXPMHQYPRFVGNO-UHFFFAOYSA-N
XLogP1.97
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-chloro-1,3-benzoxazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-1,3-benzoxazol-7-ol
CID 130894821
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822
(7-iodo-1,3-benzoxazol-2-yl)methanol
CID 131052024
4-(7-chloro-1,3-benzoxazol-2-yl)butan-2-one
CID 83868132
[7-(difluoromethyl)-1,3-benzoxazol-2-yl]methanol
CID 131092416
2-bromo-1-[2-(hydroxymethyl)-1,3-benzoxazol-7-yl]ethanone
CID 131319792
1-[(7-chloro-1,3-benzoxazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 81422823
N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 81432937
4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 81433643
2-[1-[(7-chloro-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 81422591
2-tert-butyl-7-chloro-1,3-benzoxazole
CID 119084711
1-[4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 138603022

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (7-chloro-1,3-benzoxazol-2-yl)methanol (CID 130132807) is (7-chloro-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (7-chloro-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (7-chloro-1,3-benzoxazol-2-yl)methanol is OCc1nc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1,3-benzoxazol-2-yl)methanol?
The InChIKey is TXPMHQYPRFVGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-3,11H,4H2.
What are the key properties of (7-chloro-1,3-benzoxazol-2-yl)methanol?
(7-chloro-1,3-benzoxazol-2-yl)methanol has a molecular weight of 183.59 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 130132807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).