3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one

C14H15NO2 — CID 132538424

IUPAC3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one
SMILESC=C(c1ccccc1)C(C)Cn1ccoc1=O
InChIInChI=1S/C14H15NO2/c1-11(10-15-8-9-17-14(15)16)12(2)13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3
InChIKeySEEDSKFBFDLEDI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.79
Rot. Bonds4

About 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one

3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one (PubChem CID 132538424) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one
PubChem CID132538424
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one
SMILESC=C(c1ccccc1)C(C)Cn1ccoc1=O
InChIInChI=1S/C14H15NO2/c1-11(10-15-8-9-17-14(15)16)12(2)13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3
InChIKeySEEDSKFBFDLEDI-UHFFFAOYSA-N
XLogP2.79
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-3-phenylbut-3-eneperoxoic acid
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1-[(3R)-3-methylpent-1-en-2-yl]-3,5-diphenylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one?
The IUPAC name of 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one (CID 132538424) is 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one is C=C(c1ccccc1)C(C)Cn1ccoc1=O.
What is the InChIKey of 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one?
The InChIKey is SEEDSKFBFDLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11(10-15-8-9-17-14(15)16)12(2)13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3.
What are the key properties of 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one?
3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-phenylbut-3-enyl)-1,3-oxazol-2-one is sourced from PubChem (CID 132538424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).