4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole

C13H12BrNO — CID 177241052

IUPAC4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole
SMILESBrc1nc(CC2CC2)oc1-c1ccccc1
InChIInChI=1S/C13H12BrNO/c14-13-12(10-4-2-1-3-5-10)16-11(15-13)8-9-6-7-9/h1-5,9H,6-8H2
InChIKeyANBUFBWQEPZHQX-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.06
Rot. Bonds3

About 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole

4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole (PubChem CID 177241052) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole
PubChem CID177241052
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole
SMILESBrc1nc(CC2CC2)oc1-c1ccccc1
InChIInChI=1S/C13H12BrNO/c14-13-12(10-4-2-1-3-5-10)16-11(15-13)8-9-6-7-9/h1-5,9H,6-8H2
InChIKeyANBUFBWQEPZHQX-UHFFFAOYSA-N
XLogP4.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole (CID 177241052) is 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole is Brc1nc(CC2CC2)oc1-c1ccccc1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole?
The InChIKey is ANBUFBWQEPZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-13-12(10-4-2-1-3-5-10)16-11(15-13)8-9-6-7-9/h1-5,9H,6-8H2.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole?
4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole has a molecular weight of 278.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 177241052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).