3,6-dichloro-2,1-benzoxazole

C7H3Cl2NO — CID 67983088

IUPAC3,6-dichloro-2,1-benzoxazole
SMILESClc1ccc2c(Cl)onc2c1
InChIInChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H
InChIKeyUELYHQUTZZZZGL-UHFFFAOYSA-N
MW188.01 g/mol
LogP3.13
Rot. Bonds

About 3,6-dichloro-2,1-benzoxazole

3,6-dichloro-2,1-benzoxazole (PubChem CID 67983088) has the molecular formula C7H3Cl2NO and a molecular weight of 188.01 g/mol. Its IUPAC name is 3,6-dichloro-2,1-benzoxazole.

Molecular Properties

Compound Name3,6-dichloro-2,1-benzoxazole
PubChem CID67983088
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01 g/mol
Exact Mass186.96
IUPAC Name3,6-dichloro-2,1-benzoxazole
SMILESClc1ccc2c(Cl)onc2c1
InChIInChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H
InChIKeyUELYHQUTZZZZGL-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337
7-chloro-4-methylquinazoline;ethane
CID 142542904
6-chloro-2,1-benzoxazole
CID 14361545
azane;4-chlorocyclopropa[b]indole
CID 174412946
4,7-dichloroquinoline
CID 6866
CID 88576146
CID 88576146
2-(5-chloro-1,2-benzoxazol-3-yl)acetic acid
CID 15562921
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
7-chlorocinnolin-4-amine
CID 10511562
5-chloro-3-propyl-1,2-benzoxazole
CID 177441430
7-chloro-2-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)ethyl]-3,1-benzoxazin-4-one
CID 18432309

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2,1-benzoxazole?
The IUPAC name of 3,6-dichloro-2,1-benzoxazole (CID 67983088) is 3,6-dichloro-2,1-benzoxazole.
What is the SMILES notation for 3,6-dichloro-2,1-benzoxazole?
The canonical SMILES for 3,6-dichloro-2,1-benzoxazole is Clc1ccc2c(Cl)onc2c1.
What is the InChIKey of 3,6-dichloro-2,1-benzoxazole?
The InChIKey is UELYHQUTZZZZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H.
What are the key properties of 3,6-dichloro-2,1-benzoxazole?
3,6-dichloro-2,1-benzoxazole has a molecular weight of 188.01 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2,1-benzoxazole is sourced from PubChem (CID 67983088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).