(1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one

C15H16N2O3 — CID 87055083

IUPAC(1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one
SMILESCc1noc(C)c1/C=C/C(=O)/C=C/c1c(C)noc1C
InChIInChI=1S/C15H16N2O3/c1-9-14(11(3)19-16-9)7-5-13(18)6-8-15-10(2)17-20-12(15)4/h5-8H,1-4H3/b7-5+,8-6+
InChIKeyZLFPRCWVLUGQBH-KQQUZDAGSA-N
MW272.30 g/mol
LogP3.19
Rot. Bonds4

About (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one (PubChem CID 87055083) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one
PubChem CID87055083
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one
SMILESCc1noc(C)c1/C=C/C(=O)/C=C/c1c(C)noc1C
InChIInChI=1S/C15H16N2O3/c1-9-14(11(3)19-16-9)7-5-13(18)6-8-15-10(2)17-20-12(15)4/h5-8H,1-4H3/b7-5+,8-6+
InChIKeyZLFPRCWVLUGQBH-KQQUZDAGSA-N
XLogP3.19
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one (CID 87055083) is (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one is Cc1noc(C)c1/C=C/C(=O)/C=C/c1c(C)noc1C.
What is the InChIKey of (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one?
The InChIKey is ZLFPRCWVLUGQBH-KQQUZDAGSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-14(11(3)19-16-9)7-5-13(18)6-8-15-10(2)17-20-12(15)4/h5-8H,1-4H3/b7-5+,8-6+.
What are the key properties of (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one has a molecular weight of 272.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(3,5-dimethyl-1,2-oxazol-4-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 87055083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).