2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one

C19H23NO2 — CID 12728819

IUPAC2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one
SMILESC=CC(C)(C)C1(CC=C(C)C)N=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C19H23NO2/c1-6-18(4,5)19(13-12-14(2)3)20-16(17(21)22-19)15-10-8-7-9-11-15/h6-12H,1,13H2,2-5H3
InChIKeyRNQPGHHWSBOTNA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one

2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one (PubChem CID 12728819) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one
PubChem CID12728819
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one
SMILESC=CC(C)(C)C1(CC=C(C)C)N=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C19H23NO2/c1-6-18(4,5)19(13-12-14(2)3)20-16(17(21)22-19)15-10-8-7-9-11-15/h6-12H,1,13H2,2-5H3
InChIKeyRNQPGHHWSBOTNA-UHFFFAOYSA-N
XLogP4.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one with MolForge

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Related Compounds

5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
2-benzylidene-4-phenyl-1,3-oxazol-5(2H)-one
CID 851756
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
3-Phenyl-4,4-dimethyl-isoxazol-5(4H)-one
CID 583156
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
2-Benzylidene-4-phenyl-5(2h)-oxazolone
CID 11842096
5(2H)-Oxazolone, 4-(phenylmethyl)-
CID 562347
Methyl 2-methoxyimino-2-phenylacetate
CID 577152
Methoxyimino-phenylacetic acid, methyl ester
CID 9602710
4-Phenyl-2,2-bis(trifluoromethyl)-1,3-oxazol-5-one
CID 12534591
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one?
The IUPAC name of 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one (CID 12728819) is 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one is C=CC(C)(C)C1(CC=C(C)C)N=C(c2ccccc2)C(=O)O1.
What is the InChIKey of 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one?
The InChIKey is RNQPGHHWSBOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-6-18(4,5)19(13-12-14(2)3)20-16(17(21)22-19)15-10-8-7-9-11-15/h6-12H,1,13H2,2-5H3.
What are the key properties of 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one?
2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one has a molecular weight of 297.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 12728819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).