2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole

C12H11BrClNO — CID 57045867

IUPAC2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole
SMILESCC(C)(Cl)c1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrClNO/c1-12(2,14)10-7-15-11(16-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyUAQNMSZUEVGCFU-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.58
Rot. Bonds2

About 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole

2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole (PubChem CID 57045867) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole
PubChem CID57045867
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole
SMILESCC(C)(Cl)c1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrClNO/c1-12(2,14)10-7-15-11(16-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyUAQNMSZUEVGCFU-UHFFFAOYSA-N
XLogP4.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
CID 57270447
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
CID 101479492
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329
1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087389
2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole
CID 57027441
2-[4-[4-(4-bromophenyl)buta-1,3-dienyl]phenyl]-5-phenyl-1,3-oxazole
CID 3988462
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
5-(bromomethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 121205083
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole?
The IUPAC name of 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole (CID 57045867) is 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole is CC(C)(Cl)c1cnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole?
The InChIKey is UAQNMSZUEVGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-12(2,14)10-7-15-11(16-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole?
2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole has a molecular weight of 300.58 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2-chloropropan-2-yl)-1,3-oxazole is sourced from PubChem (CID 57045867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).