5-chloro-3-thiophen-2-yl-1,2-benzoxazole

C11H6ClNOS — CID 13404237

IUPAC5-chloro-3-thiophen-2-yl-1,2-benzoxazole
SMILESClc1ccc2onc(-c3cccs3)c2c1
InChIInChI=1S/C11H6ClNOS/c12-7-3-4-9-8(6-7)11(13-14-9)10-2-1-5-15-10/h1-6H
InChIKeyCFEADNJZDZGSIM-UHFFFAOYSA-N
MW235.70 g/mol
LogP4.21
Rot. Bonds1

About 5-chloro-3-thiophen-2-yl-1,2-benzoxazole

5-chloro-3-thiophen-2-yl-1,2-benzoxazole (PubChem CID 13404237) has the molecular formula C11H6ClNOS and a molecular weight of 235.70 g/mol. Its IUPAC name is 5-chloro-3-thiophen-2-yl-1,2-benzoxazole.

Molecular Properties

Compound Name5-chloro-3-thiophen-2-yl-1,2-benzoxazole
PubChem CID13404237
Molecular FormulaC11H6ClNOS
Molecular Weight235.70 g/mol
Exact Mass234.99
IUPAC Name5-chloro-3-thiophen-2-yl-1,2-benzoxazole
SMILESClc1ccc2onc(-c3cccs3)c2c1
InChIInChI=1S/C11H6ClNOS/c12-7-3-4-9-8(6-7)11(13-14-9)10-2-1-5-15-10/h1-6H
InChIKeyCFEADNJZDZGSIM-UHFFFAOYSA-N
XLogP4.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol
CID 173447007
5-(5-chloro-1,2-benzoxazol-3-yl)pyrimidin-2-amine
CID 13333152
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013485
3-thiophen-2-ylthieno[2,3-e]oxazin-4-one
CID 132919308
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine
CID 24971425
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
CID 15750360
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine
CID 142254122
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-thiophen-2-yl-1,2-benzoxazole?
The IUPAC name of 5-chloro-3-thiophen-2-yl-1,2-benzoxazole (CID 13404237) is 5-chloro-3-thiophen-2-yl-1,2-benzoxazole.
What is the SMILES notation for 5-chloro-3-thiophen-2-yl-1,2-benzoxazole?
The canonical SMILES for 5-chloro-3-thiophen-2-yl-1,2-benzoxazole is Clc1ccc2onc(-c3cccs3)c2c1.
What is the InChIKey of 5-chloro-3-thiophen-2-yl-1,2-benzoxazole?
The InChIKey is CFEADNJZDZGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNOS/c12-7-3-4-9-8(6-7)11(13-14-9)10-2-1-5-15-10/h1-6H.
What are the key properties of 5-chloro-3-thiophen-2-yl-1,2-benzoxazole?
5-chloro-3-thiophen-2-yl-1,2-benzoxazole has a molecular weight of 235.70 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-thiophen-2-yl-1,2-benzoxazole is sourced from PubChem (CID 13404237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).