4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole

C18H17NO — CID 102579765

IUPAC4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole
SMILESC=C(C)C1=NC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C18H17NO/c1-14(2)17-19-18(13-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1,13H2,2H3
InChIKeyXKZXRCJMRTVSJC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds3

About 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole

4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole (PubChem CID 102579765) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole
PubChem CID102579765
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole
SMILESC=C(C)C1=NC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C18H17NO/c1-14(2)17-19-18(13-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1,13H2,2H3
InChIKeyXKZXRCJMRTVSJC-UHFFFAOYSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole?
The IUPAC name of 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole (CID 102579765) is 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole.
What is the SMILES notation for 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole?
The canonical SMILES for 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole is C=C(C)C1=NC(c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole?
The InChIKey is XKZXRCJMRTVSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14(2)17-19-18(13-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1,13H2,2H3.
What are the key properties of 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole?
4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-2-prop-1-en-2-yl-5H-1,3-oxazole is sourced from PubChem (CID 102579765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).