4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole

C12H10BrNO — CID 115049175

IUPAC4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole
SMILESBrc1cccc(-c2coc(C3CC3)n2)c1
InChIInChI=1S/C12H10BrNO/c13-10-3-1-2-9(6-10)11-7-15-12(14-11)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyNJCHAGAWJLKFIO-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.98
Rot. Bonds2

About 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole

4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole (PubChem CID 115049175) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole
PubChem CID115049175
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole
SMILESBrc1cccc(-c2coc(C3CC3)n2)c1
InChIInChI=1S/C12H10BrNO/c13-10-3-1-2-9(6-10)11-7-15-12(14-11)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyNJCHAGAWJLKFIO-UHFFFAOYSA-N
XLogP3.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole?
The IUPAC name of 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole (CID 115049175) is 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole?
The canonical SMILES for 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole is Brc1cccc(-c2coc(C3CC3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole?
The InChIKey is NJCHAGAWJLKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-10-3-1-2-9(6-10)11-7-15-12(14-11)8-4-5-8/h1-3,6-8H,4-5H2.
What are the key properties of 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole?
4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole has a molecular weight of 264.12 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole is sourced from PubChem (CID 115049175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).