3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol

C12H12BrNO2 — CID 115051821

IUPAC3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccccc2Br)co1
InChIInChI=1S/C12H12BrNO2/c13-10-5-2-1-4-9(10)11-8-16-12(14-11)6-3-7-15/h1-2,4-5,8,15H,3,6-7H2
InChIKeyVEBCTCGCEJCMRB-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.03
Rot. Bonds4

About 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol

3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115051821) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115051821
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccccc2Br)co1
InChIInChI=1S/C12H12BrNO2/c13-10-5-2-1-4-9(10)11-8-16-12(14-11)6-3-7-15/h1-2,4-5,8,15H,3,6-7H2
InChIKeyVEBCTCGCEJCMRB-UHFFFAOYSA-N
XLogP3.03
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
CID 115031212
3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
CID 116899714
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
CID 115031213
3-(4-cyclopentyl-1,3-oxazol-2-yl)propan-1-ol
CID 115020265
2-[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
2-pentyl-4-pyridin-2-yl-1,3-oxazole
CID 69401080
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
CID 115081944
2-[2-(2-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087224
phenyl-bis[2-(4-phenyl-1,3-oxazol-2-yl)ethyl]phosphane
CID 142879776
3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115081917
3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115036295
[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
CID 115047212

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol (CID 115051821) is 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol is OCCCc1nc(-c2ccccc2Br)co1.
What is the InChIKey of 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is VEBCTCGCEJCMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-10-5-2-1-4-9(10)11-8-16-12(14-11)6-3-7-15/h1-2,4-5,8,15H,3,6-7H2.
What are the key properties of 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol?
3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 282.14 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115051821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).