2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole

C15H9BrClNO — CID 9038876

IUPAC2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole
SMILESCl/C(=C\c1cccc(Br)c1)c1nc2ccccc2o1
InChIInChI=1S/C15H9BrClNO/c16-11-5-3-4-10(8-11)9-12(17)15-18-13-6-1-2-7-14(13)19-15/h1-9H/b12-9-
InChIKeyLLTYVRBMXHQFJI-XFXZXTDPSA-N
MW334.60 g/mol
LogP5.33
Rot. Bonds2

About 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole

2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole (PubChem CID 9038876) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole
PubChem CID9038876
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole
SMILESCl/C(=C\c1cccc(Br)c1)c1nc2ccccc2o1
InChIInChI=1S/C15H9BrClNO/c16-11-5-3-4-10(8-11)9-12(17)15-18-13-6-1-2-7-14(13)19-15/h1-9H/b12-9-
InChIKeyLLTYVRBMXHQFJI-XFXZXTDPSA-N
XLogP5.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(1,3-benzoxazol-2-yl)-3-(3-bromophenyl)prop-2-enenitrile
CID 6304292
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
CID 9038895
2-(1,3-benzoxazol-2-yl)-3-(3-bromophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3742399
2-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-1,3-benzoxazole
CID 9038906
2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1H-benzimidazole
CID 17391050
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole
CID 9038828
2-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloroethenyl]phenoxy]acetate
CID 9039035
2-[1-chloro-2-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)ethenyl]-1,3-benzoxazole
CID 127265013
2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole
CID 9039150
2,2-bis(1,3-benzoxazol-2-yl)ethenol
CID 135451442
2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 3833962
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(3-bromophenyl)prop-2-en-1-imine
CID 2844858

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole (CID 9038876) is 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole is Cl/C(=C\c1cccc(Br)c1)c1nc2ccccc2o1.
What is the InChIKey of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole?
The InChIKey is LLTYVRBMXHQFJI-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-11-5-3-4-10(8-11)9-12(17)15-18-13-6-1-2-7-14(13)19-15/h1-9H/b12-9-.
What are the key properties of 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole?
2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole has a molecular weight of 334.60 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole is sourced from PubChem (CID 9038876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).