[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol

C14H10BrNO2 — CID 83949668

IUPAC[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H10BrNO2/c15-11-4-2-10(3-5-11)14-16-12-7-9(8-17)1-6-13(12)18-14/h1-7,17H,8H2
InChIKeyYIPPMYDFWNLIRA-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.75
Rot. Bonds2

About [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol

[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 83949668) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID83949668
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H10BrNO2/c15-11-4-2-10(3-5-11)14-16-12-7-9(8-17)1-6-13(12)18-14/h1-7,17H,8H2
InChIKeyYIPPMYDFWNLIRA-UHFFFAOYSA-N
XLogP3.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873
CID 89035769
CID 89035769
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-(4-bromophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3-benzoxazole
CID 112719850
N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
CID 137133301
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol (CID 83949668) is [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(-c3ccc(Br)cc3)nc2c1.
What is the InChIKey of [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is YIPPMYDFWNLIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-11-4-2-10(3-5-11)14-16-12-7-9(8-17)1-6-13(12)18-14/h1-7,17H,8H2.
What are the key properties of [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol?
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 304.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 83949668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).