7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol

C11H6ClNO2S — CID 173447007

IUPAC7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3cccs3)noc2c1Cl
InChIInChI=1S/C11H6ClNO2S/c12-9-7(14)4-3-6-10(13-15-11(6)9)8-2-1-5-16-8/h1-5,14H
InChIKeyPEXINFFZUQLSGA-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.92
Rot. Bonds1

About 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol

7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol (PubChem CID 173447007) has the molecular formula C11H6ClNO2S and a molecular weight of 251.69 g/mol. Its IUPAC name is 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol
PubChem CID173447007
Molecular FormulaC11H6ClNO2S
Molecular Weight251.69 g/mol
Exact Mass250.98
IUPAC Name7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(-c3cccs3)noc2c1Cl
InChIInChI=1S/C11H6ClNO2S/c12-9-7(14)4-3-6-10(13-15-11(6)9)8-2-1-5-16-8/h1-5,14H
InChIKeyPEXINFFZUQLSGA-UHFFFAOYSA-N
XLogP3.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-thiophen-2-yl-1,2-benzoxazole
CID 13404237
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
CID 15750360
7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
CID 123447302
3-thiophen-2-ylthieno[2,3-e]oxazin-4-one
CID 132919308
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 5-chloro-2-hydroxybenzoate
CID 18171316
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
2,3,5-trichloro-6-thiophen-2-ylpyridine
CID 102752496
1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol
CID 163210788
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol?
The IUPAC name of 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol (CID 173447007) is 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol.
What is the SMILES notation for 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol?
The canonical SMILES for 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol is Oc1ccc2c(-c3cccs3)noc2c1Cl.
What is the InChIKey of 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol?
The InChIKey is PEXINFFZUQLSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO2S/c12-9-7(14)4-3-6-10(13-15-11(6)9)8-2-1-5-16-8/h1-5,14H.
What are the key properties of 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol?
7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol has a molecular weight of 251.69 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol is sourced from PubChem (CID 173447007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).