5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole

C19H21NO — CID 11821988

IUPAC5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
SMILESCC1(c2ccccc2)CC(CCCc2ccccc2)=NO1
InChIInChI=1S/C19H21NO/c1-19(17-12-6-3-7-13-17)15-18(20-21-19)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14-15H2,1H3
InChIKeyZNPHJIGBWKXMGP-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.70
Rot. Bonds5

About 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole

5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole (PubChem CID 11821988) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
PubChem CID11821988
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
SMILESCC1(c2ccccc2)CC(CCCc2ccccc2)=NO1
InChIInChI=1S/C19H21NO/c1-19(17-12-6-3-7-13-17)15-18(20-21-19)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14-15H2,1H3
InChIKeyZNPHJIGBWKXMGP-UHFFFAOYSA-N
XLogP4.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983
4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol
CID 10777254
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
3,5,5-Triphenyl-4,5-dihydroisoxazole
CID 1205479
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 24881471
3,5-Bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881472

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole?
The IUPAC name of 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole (CID 11821988) is 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole is CC1(c2ccccc2)CC(CCCc2ccccc2)=NO1.
What is the InChIKey of 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole?
The InChIKey is ZNPHJIGBWKXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(17-12-6-3-7-13-17)15-18(20-21-19)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14-15H2,1H3.
What are the key properties of 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole?
5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole is sourced from PubChem (CID 11821988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).