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

C13H12BrNO2 — CID 102543898

IUPAC[1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
SMILESOCC1(c2cc(-c3ccccc3Br)on2)CC1
InChIInChI=1S/C13H12BrNO2/c14-10-4-2-1-3-9(10)11-7-12(15-17-11)13(8-16)5-6-13/h1-4,7,16H,5-6,8H2
InChIKeyPNZAQBUMCZEITD-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.13
Rot. Bonds3

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

[1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol (PubChem CID 102543898) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
PubChem CID102543898
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name[1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
SMILESOCC1(c2cc(-c3ccccc3Br)on2)CC1
InChIInChI=1S/C13H12BrNO2/c14-10-4-2-1-3-9(10)11-7-12(15-17-11)13(8-16)5-6-13/h1-4,7,16H,5-6,8H2
InChIKeyPNZAQBUMCZEITD-UHFFFAOYSA-N
XLogP3.13
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanol
CID 102543890
[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
CID 102543893
[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
CID 102543907
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
[1-[4-(2-bromophenyl)pyrimidin-2-yl]cyclobutyl]methanol
CID 116902796
5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111196
[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine
CID 102543920
[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
CID 115047212
1-[5-(2-bromophenyl)thiophen-3-yl]cyclopropane-1-carboxylic acid
CID 84605544
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide
CID 90503457
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396
5-(2-bromophenyl)oxadiazole
CID 86070760

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol (CID 102543898) is [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol is OCC1(c2cc(-c3ccccc3Br)on2)CC1.
What is the InChIKey of [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
The InChIKey is PNZAQBUMCZEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-10-4-2-1-3-9(10)11-7-12(15-17-11)13(8-16)5-6-13/h1-4,7,16H,5-6,8H2.
What are the key properties of [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol?
[1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol has a molecular weight of 294.15 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-bromophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 102543898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).