2-ethyl-3-phenyl-3H-1,2-oxazole

C11H13NO — CID 139560895

IUPAC2-ethyl-3-phenyl-3H-1,2-oxazole
SMILESCCN1OC=CC1c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-12-11(8-9-13-12)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3
InChIKeyPBQRNTXRLIVYLI-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.51
Rot. Bonds2

About 2-ethyl-3-phenyl-3H-1,2-oxazole

2-ethyl-3-phenyl-3H-1,2-oxazole (PubChem CID 139560895) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-ethyl-3-phenyl-3H-1,2-oxazole
PubChem CID139560895
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-ethyl-3-phenyl-3H-1,2-oxazole
SMILESCCN1OC=CC1c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-12-11(8-9-13-12)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3
InChIKeyPBQRNTXRLIVYLI-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenyl-3H-1,2-oxazole?
The IUPAC name of 2-ethyl-3-phenyl-3H-1,2-oxazole (CID 139560895) is 2-ethyl-3-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 2-ethyl-3-phenyl-3H-1,2-oxazole?
The canonical SMILES for 2-ethyl-3-phenyl-3H-1,2-oxazole is CCN1OC=CC1c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenyl-3H-1,2-oxazole?
The InChIKey is PBQRNTXRLIVYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-12-11(8-9-13-12)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3.
What are the key properties of 2-ethyl-3-phenyl-3H-1,2-oxazole?
2-ethyl-3-phenyl-3H-1,2-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 139560895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).