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

C10H11NO — CID 13123757

IUPAC4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1C=NOC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-8,10H,1H3
InChIKeyGXAZJKFPKOSSOO-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.38
Rot. Bonds1

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

4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 13123757) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID13123757
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1C=NOC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-8,10H,1H3
InChIKeyGXAZJKFPKOSSOO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, O-(phenylmethyl)oxime
CID 18803
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585632
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585655
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
N-phenylmethoxymethanimine
CID 561610
O-benzylbenzaldoxime
CID 561973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole (CID 13123757) is 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole is CC1C=NOC1c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is GXAZJKFPKOSSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-8,10H,1H3.
What are the key properties of 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13123757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).