2-(4-bromophenyl)-6-chloro-1,3-benzoxazole

C13H7BrClNO — CID 53497105

IUPAC2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
SMILESClc1ccc2nc(-c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C13H7BrClNO/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H
InChIKeyVHAZXMTXNWUQCY-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.91
Rot. Bonds1

About 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole

2-(4-bromophenyl)-6-chloro-1,3-benzoxazole (PubChem CID 53497105) has the molecular formula C13H7BrClNO and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
PubChem CID53497105
Molecular FormulaC13H7BrClNO
Molecular Weight308.56 g/mol
Exact Mass306.94
IUPAC Name2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
SMILESClc1ccc2nc(-c3ccc(Br)cc3)oc2c1
InChIInChI=1S/C13H7BrClNO/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H
InChIKeyVHAZXMTXNWUQCY-UHFFFAOYSA-N
XLogP4.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-6-iodo-1,3-benzoxazole
CID 172702567
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
CID 81433846
4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
CID 3502614
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine
CID 2833260
6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
CID 139379765
CID 89035769
CID 89035769
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole?
The IUPAC name of 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole (CID 53497105) is 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole?
The canonical SMILES for 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole is Clc1ccc2nc(-c3ccc(Br)cc3)oc2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole?
The InChIKey is VHAZXMTXNWUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H.
What are the key properties of 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole?
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole has a molecular weight of 308.56 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole is sourced from PubChem (CID 53497105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).