5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole

C11H10BrNO — CID 71405414

IUPAC5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C11H10BrNO/c1-7-8(2)13-14-11(7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKeyKSRHVJOTSVMAIM-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.72
Rot. Bonds1

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

5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole (PubChem CID 71405414) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole
PubChem CID71405414
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C11H10BrNO/c1-7-8(2)13-14-11(7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKeyKSRHVJOTSVMAIM-UHFFFAOYSA-N
XLogP3.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole (CID 71405414) is 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole is Cc1noc(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole?
The InChIKey is KSRHVJOTSVMAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-8(2)13-14-11(7)9-3-5-10(12)6-4-9/h3-6H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole?
5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole has a molecular weight of 252.11 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 71405414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).