2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole

C12H12BrNO — CID 102974645

IUPAC2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2coc(Br)n2)cc1
InChIInChI=1S/C12H12BrNO/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(13)14-11/h3-8H,1-2H3
InChIKeyUCZPLNWZZKWRIK-UHFFFAOYSA-N
MW266.14 g/mol
LogP4.23
Rot. Bonds2

About 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole

2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 102974645) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
PubChem CID102974645
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2coc(Br)n2)cc1
InChIInChI=1S/C12H12BrNO/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(13)14-11/h3-8H,1-2H3
InChIKeyUCZPLNWZZKWRIK-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

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Related Compounds

4-(2-bromo-1,3-oxazol-4-yl)benzonitrile
CID 102974567
2-bromo-4-(4-nitrophenyl)-1,3-oxazole
CID 102974582
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620
2-bromo-4-(4-propan-2-ylphenyl)pyridine
CID 83744883
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
CID 82126942
1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 115022579
4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole
CID 119082880
4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80952817
1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
CID 173233608
6-bromo-7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 46307196
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole (CID 102974645) is 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole is CC(C)c1ccc(-c2coc(Br)n2)cc1.
What is the InChIKey of 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is UCZPLNWZZKWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(13)14-11/h3-8H,1-2H3.
What are the key properties of 2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole?
2-bromo-4-(4-propan-2-ylphenyl)-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-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 102974645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).