2-benzyl-1,3-benzoxazole

C14H11NO — CID 16179

IUPAC2-benzyl-1,3-benzoxazole
SMILESc1ccc(Cc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKeyQHCPEVCCVPNQHM-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.42
Rot. Bonds2

About 2-benzyl-1,3-benzoxazole

2-benzyl-1,3-benzoxazole (PubChem CID 16179) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-benzyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-benzyl-1,3-benzoxazole
PubChem CID16179
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-benzyl-1,3-benzoxazole
SMILESc1ccc(Cc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKeyQHCPEVCCVPNQHM-UHFFFAOYSA-N
XLogP3.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-benzoxazole?
The IUPAC name of 2-benzyl-1,3-benzoxazole (CID 16179) is 2-benzyl-1,3-benzoxazole.
What is the SMILES notation for 2-benzyl-1,3-benzoxazole?
The canonical SMILES for 2-benzyl-1,3-benzoxazole is c1ccc(Cc2nc3ccccc3o2)cc1.
What is the InChIKey of 2-benzyl-1,3-benzoxazole?
The InChIKey is QHCPEVCCVPNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2.
What are the key properties of 2-benzyl-1,3-benzoxazole?
2-benzyl-1,3-benzoxazole has a molecular weight of 209.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-benzoxazole is sourced from PubChem (CID 16179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).