[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol

C14H8BrClFNO2 — CID 162715061

IUPAC[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol
SMILESOCc1cc(Cl)c2oc(-c3cccc(Br)c3F)nc2c1
InChIInChI=1S/C14H8BrClFNO2/c15-9-3-1-2-8(12(9)17)14-18-11-5-7(6-19)4-10(16)13(11)20-14/h1-5,19H,6H2
InChIKeyJDMWECRDMMTDNL-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.54
Rot. Bonds2

About [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol

[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol (PubChem CID 162715061) has the molecular formula C14H8BrClFNO2 and a molecular weight of 356.58 g/mol. Its IUPAC name is [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol
PubChem CID162715061
Molecular FormulaC14H8BrClFNO2
Molecular Weight356.58 g/mol
Exact Mass354.94
IUPAC Name[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol
SMILESOCc1cc(Cl)c2oc(-c3cccc(Br)c3F)nc2c1
InChIInChI=1S/C14H8BrClFNO2/c15-9-3-1-2-8(12(9)17)14-18-11-5-7(6-19)4-10(16)13(11)20-14/h1-5,19H,6H2
InChIKeyJDMWECRDMMTDNL-UHFFFAOYSA-N
XLogP4.54
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol (CID 162715061) is [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol is OCc1cc(Cl)c2oc(-c3cccc(Br)c3F)nc2c1.
What is the InChIKey of [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol?
The InChIKey is JDMWECRDMMTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO2/c15-9-3-1-2-8(12(9)17)14-18-11-5-7(6-19)4-10(16)13(11)20-14/h1-5,19H,6H2.
What are the key properties of [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol?
[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol has a molecular weight of 356.58 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 162715061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).