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

C10H11NO — CID 91349507

IUPAC5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H11NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-8,11H,1H3
InChIKeyKQTKMZKPVHHDEQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.95
Rot. Bonds1

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

5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 91349507) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID91349507
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H11NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-8,11H,1H3
InChIKeyKQTKMZKPVHHDEQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl(ethoxy)amine
CID 18794272
Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373
Phenyloxazine
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1-phenyl-N-propan-2-yloxymethanamine
CID 53771755
1-phenyl-N-propoxymethanamine
CID 53895948
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole (CID 91349507) is 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole is CC1C=C(c2ccccc2)NO1.
What is the InChIKey of 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is KQTKMZKPVHHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-8,11H,1H3.
What are the key properties of 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole?
5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91349507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).