3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one

C19H17NO2 — CID 11380755

IUPAC3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one
SMILESC=CCC(c1ccccc1)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C19H17NO2/c1-2-9-16(14-10-5-3-6-11-14)17-18(20-22-19(17)21)15-12-7-4-8-13-15/h2-8,10-13,16,20H,1,9H2
InChIKeyFLIBKIUTGINARA-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.34
Rot. Bonds5

About 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one

3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one (PubChem CID 11380755) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one
PubChem CID11380755
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one
SMILESC=CCC(c1ccccc1)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C19H17NO2/c1-2-9-16(14-10-5-3-6-11-14)17-18(20-22-19(17)21)15-12-7-4-8-13-15/h2-8,10-13,16,20H,1,9H2
InChIKeyFLIBKIUTGINARA-UHFFFAOYSA-N
XLogP4.34
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one
CID 123578795
4-benzyl-3-phenyl-2H-1,2-oxazol-5-one
CID 13199480
9-(1-phenylbut-3-enyl)anthracene
CID 132849936
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
CID 14955905
(3S)-3-phenylhex-5-enal
CID 11229081
3-phenylhexa-1,5-dien-2-ol
CID 173444348
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one (CID 11380755) is 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one is C=CCC(c1ccccc1)c1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one?
The InChIKey is FLIBKIUTGINARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-9-16(14-10-5-3-6-11-14)17-18(20-22-19(17)21)15-12-7-4-8-13-15/h2-8,10-13,16,20H,1,9H2.
What are the key properties of 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one?
3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one has a molecular weight of 291.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 11380755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).