[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol

C11H10BrNO2 — CID 107984323

IUPAC[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCc1cccc(-c2ocnc2CO)c1Br
InChIInChI=1S/C11H10BrNO2/c1-7-3-2-4-8(10(7)12)11-9(5-14)13-6-15-11/h2-4,6,14H,5H2,1H3
InChIKeyUXOAFXARCPMPNV-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.90
Rot. Bonds2

About [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol

[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 107984323) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol
PubChem CID107984323
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCc1cccc(-c2ocnc2CO)c1Br
InChIInChI=1S/C11H10BrNO2/c1-7-3-2-4-8(10(7)12)11-9(5-14)13-6-15-11/h2-4,6,14H,5H2,1H3
InChIKeyUXOAFXARCPMPNV-UHFFFAOYSA-N
XLogP2.90
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
CID 81479228
1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol
CID 79757541
2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
CID 147690466
[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol
CID 79145888
[5-(2-bromo-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 107984338
[5-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methanol
CID 79145618
[5-(2-bromo-3-methylphenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 107984336
[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol
CID 79145795
4-(bromomethyl)-5-(2-fluorophenyl)-1,3-oxazole
CID 79154261
[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methanol
CID 79145508

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol (CID 107984323) is [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol is Cc1cccc(-c2ocnc2CO)c1Br.
What is the InChIKey of [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is UXOAFXARCPMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7-3-2-4-8(10(7)12)11-9(5-14)13-6-15-11/h2-4,6,14H,5H2,1H3.
What are the key properties of [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol?
[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 268.11 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 107984323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).