5-bromo-3-(2-phenylethyl)-1,2-benzoxazole

C15H12BrNO — CID 148595915

IUPAC5-bromo-3-(2-phenylethyl)-1,2-benzoxazole
SMILESBrc1ccc2onc(CCc3ccccc3)c2c1
InChIInChI=1S/C15H12BrNO/c16-12-7-9-15-13(10-12)14(17-18-15)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2
InChIKeyNBNWKLZBNRXXMR-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.38
Rot. Bonds3

About 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole

5-bromo-3-(2-phenylethyl)-1,2-benzoxazole (PubChem CID 148595915) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-bromo-3-(2-phenylethyl)-1,2-benzoxazole
PubChem CID148595915
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name5-bromo-3-(2-phenylethyl)-1,2-benzoxazole
SMILESBrc1ccc2onc(CCc3ccccc3)c2c1
InChIInChI=1S/C15H12BrNO/c16-12-7-9-15-13(10-12)14(17-18-15)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2
InChIKeyNBNWKLZBNRXXMR-UHFFFAOYSA-N
XLogP4.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole?
The IUPAC name of 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole (CID 148595915) is 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole.
What is the SMILES notation for 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole?
The canonical SMILES for 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole is Brc1ccc2onc(CCc3ccccc3)c2c1.
What is the InChIKey of 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole?
The InChIKey is NBNWKLZBNRXXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-12-7-9-15-13(10-12)14(17-18-15)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2.
What are the key properties of 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole?
5-bromo-3-(2-phenylethyl)-1,2-benzoxazole has a molecular weight of 302.17 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-phenylethyl)-1,2-benzoxazole is sourced from PubChem (CID 148595915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).