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

C10H8BrNO2 — CID 115047212

IUPAC[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
SMILESOCc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C10H8BrNO2/c11-8-4-2-1-3-7(8)9-5-12-10(6-13)14-9/h1-5,13H,6H2
InChIKeyYWZRVJPJJOVGPD-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.60
Rot. Bonds2

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

[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol (PubChem CID 115047212) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
PubChem CID115047212
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
SMILESOCc1ncc(-c2ccccc2Br)o1
InChIInChI=1S/C10H8BrNO2/c11-8-4-2-1-3-7(8)9-5-12-10(6-13)14-9/h1-5,13H,6H2
InChIKeyYWZRVJPJJOVGPD-UHFFFAOYSA-N
XLogP2.60
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487783
3-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid
CID 119911967
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181215
5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one
CID 71873594
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746
N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide
CID 119666184
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442297
1-[5-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867011

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol (CID 115047212) is [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol is OCc1ncc(-c2ccccc2Br)o1.
What is the InChIKey of [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol?
The InChIKey is YWZRVJPJJOVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-8-4-2-1-3-7(8)9-5-12-10(6-13)14-9/h1-5,13H,6H2.
What are the key properties of [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol?
[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol has a molecular weight of 254.08 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 115047212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).