2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole

C12H12BrNO — CID 115049454

IUPAC2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrNO/c1-8(2)11-7-15-12(14-11)9-4-3-5-10(13)6-9/h3-8H,1-2H3
InChIKeyUEUFDCZQEOABIH-UHFFFAOYSA-N
MW266.14 g/mol
LogP4.23
Rot. Bonds2

About 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole

2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole (PubChem CID 115049454) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
PubChem CID115049454
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrNO/c1-8(2)11-7-15-12(14-11)9-4-3-5-10(13)6-9/h3-8H,1-2H3
InChIKeyUEUFDCZQEOABIH-UHFFFAOYSA-N
XLogP4.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115084331
4-(4-propan-2-yl-1,3-oxazol-2-yl)benzaldehyde
CID 115029103
2-[3,5-dibromo-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846169
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 82488242
2-(2-phenyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084305
4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 176796902
5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
CID 71734450
CID 163815297
CID 163815297

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole (CID 115049454) is 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole is CC(C)c1coc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole?
The InChIKey is UEUFDCZQEOABIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8(2)11-7-15-12(14-11)9-4-3-5-10(13)6-9/h3-8H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole?
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole has a molecular weight of 266.14 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 115049454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).