5-methyl-4-phenyl-1,2-oxazole

C10H9NO — CID 594379

IUPAC5-methyl-4-phenyl-1,2-oxazole
SMILESCc1oncc1-c1ccccc1
InChIInChI=1S/C10H9NO/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyWEDVCCIEDIQHRI-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.65
Rot. Bonds1

About 5-methyl-4-phenyl-1,2-oxazole

5-methyl-4-phenyl-1,2-oxazole (PubChem CID 594379) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-methyl-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-1,2-oxazole
PubChem CID594379
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-methyl-4-phenyl-1,2-oxazole
SMILESCc1oncc1-c1ccccc1
InChIInChI=1S/C10H9NO/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyWEDVCCIEDIQHRI-UHFFFAOYSA-N
XLogP2.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-phenyl-1,2-oxazole (CID 594379) is 5-methyl-4-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-phenyl-1,2-oxazole is Cc1oncc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-1,2-oxazole?
The InChIKey is WEDVCCIEDIQHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-4-phenyl-1,2-oxazole?
5-methyl-4-phenyl-1,2-oxazole has a molecular weight of 159.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-1,2-oxazole is sourced from PubChem (CID 594379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).