4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole

C10H11NO — CID 11469237

IUPAC4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ccccc2)=N1
InChIInChI=1S/C10H11NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyLDESTFIGYTYDHH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.85
Rot. Bonds1

About 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole

4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 11469237) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID11469237
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ccccc2)=N1
InChIInChI=1S/C10H11NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyLDESTFIGYTYDHH-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 11469237) is 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole is CC1COC(c2ccccc2)=N1.
What is the InChIKey of 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LDESTFIGYTYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole?
4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11469237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).