3-ethyl-5-phenyl-2H-1,3-benzoxazole

C15H15NO — CID 20650453

IUPAC3-ethyl-5-phenyl-2H-1,3-benzoxazole
SMILESCCN1COc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H15NO/c1-2-16-11-17-15-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyRAXCPWHGTVRNTQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.53
Rot. Bonds2

About 3-ethyl-5-phenyl-2H-1,3-benzoxazole

3-ethyl-5-phenyl-2H-1,3-benzoxazole (PubChem CID 20650453) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethyl-5-phenyl-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-ethyl-5-phenyl-2H-1,3-benzoxazole
PubChem CID20650453
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-ethyl-5-phenyl-2H-1,3-benzoxazole
SMILESCCN1COc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H15NO/c1-2-16-11-17-15-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyRAXCPWHGTVRNTQ-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
The IUPAC name of 3-ethyl-5-phenyl-2H-1,3-benzoxazole (CID 20650453) is 3-ethyl-5-phenyl-2H-1,3-benzoxazole.
What is the SMILES notation for 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
The canonical SMILES for 3-ethyl-5-phenyl-2H-1,3-benzoxazole is CCN1COc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
The InChIKey is RAXCPWHGTVRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-16-11-17-15-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethyl-5-phenyl-2H-1,3-benzoxazole?
3-ethyl-5-phenyl-2H-1,3-benzoxazole has a molecular weight of 225.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyl-2H-1,3-benzoxazole is sourced from PubChem (CID 20650453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).