6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole

C9H6BrCl2NO — CID 82233934

IUPAC6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2c(Cl)cc(Br)c(Cl)c2o1
InChIInChI=1S/C9H6BrCl2NO/c1-2-6-13-8-5(11)3-4(10)7(12)9(8)14-6/h3H,2H2,1H3
InChIKeyBHVLTOJIGSUJNT-UHFFFAOYSA-N
MW294.96 g/mol
LogP4.46
Rot. Bonds1

About 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole

6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole (PubChem CID 82233934) has the molecular formula C9H6BrCl2NO and a molecular weight of 294.96 g/mol. Its IUPAC name is 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
PubChem CID82233934
Molecular FormulaC9H6BrCl2NO
Molecular Weight294.96 g/mol
Exact Mass292.90
IUPAC Name6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2c(Cl)cc(Br)c(Cl)c2o1
InChIInChI=1S/C9H6BrCl2NO/c1-2-6-13-8-5(11)3-4(10)7(12)9(8)14-6/h3H,2H2,1H3
InChIKeyBHVLTOJIGSUJNT-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4,7-dichloro-2-(chloromethyl)-1,3-benzoxazole
CID 10757724
4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine
CID 82231354
2-(7-bromo-4,6-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 82234292
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822
1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82231129
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
CID 155295915
7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine
CID 84690907
7-bromo-4,6-dichloro-2-methyl-1,3-benzoxazole
CID 82233655
7-bromo-2-ethyl-4-methoxy-1,3-benzoxazole;2-ethyl-4-methoxy-1,3-benzoxazole
CID 159907783
5,8-dibromo-4-chloro-2-ethylquinoline
CID 63408954
2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
CID 178076607

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole?
The IUPAC name of 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole (CID 82233934) is 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole?
The canonical SMILES for 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole is CCc1nc2c(Cl)cc(Br)c(Cl)c2o1.
What is the InChIKey of 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole?
The InChIKey is BHVLTOJIGSUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2NO/c1-2-6-13-8-5(11)3-4(10)7(12)9(8)14-6/h3H,2H2,1H3.
What are the key properties of 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole?
6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole has a molecular weight of 294.96 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 82233934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).