5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole

C12H15NO — CID 134185791

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole
SMILESC=C/C=C\c1oc(C(C)C)nc1C=C
InChIInChI=1S/C12H15NO/c1-5-7-8-11-10(6-2)13-12(14-11)9(3)4/h5-9H,1-2H2,3-4H3/b8-7-
InChIKeyBRLBHVUJCHKZKI-FPLPWBNLSA-N
MW189.26 g/mol
LogP3.64
Rot. Bonds4

About 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole

5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole (PubChem CID 134185791) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole
PubChem CID134185791
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole
SMILESC=C/C=C\c1oc(C(C)C)nc1C=C
InChIInChI=1S/C12H15NO/c1-5-7-8-11-10(6-2)13-12(14-11)9(3)4/h5-9H,1-2H2,3-4H3/b8-7-
InChIKeyBRLBHVUJCHKZKI-FPLPWBNLSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

4-Ethenyl-2,5-dimethyl-1,3-oxazole
CID 15176132
5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
5-[(Z)-3-fluoroprop-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 141904051
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
5-(bromomethyl)-4-methyl-2-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-yl]-1,3-oxazole
CID 143640541
1,1-difluoroethane;(E)-N-[(E)-2-methoxyethenyl]-3-[5-methyl-4-[(1E)-4-methyl-2-(trifluoromethyl)hexa-1,3-dienyl]-1,3-oxazol-2-yl]but-2-en-1-imine
CID 143882372
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
6-methyl-6-propan-2-yl-2-[(2Z,4E,6Z)-10,10,10-trifluorodeca-2,4,6-trien-5-yl]cyclohepta[d][1,3]oxazole
CID 166687913
5-Ethenyl-4-(fluoromethyl)-2-methyl-1,3-oxazole
CID 166923913
5-ethenyl-2-propan-2-yl-4-[(1Z,3E)-5,5,5-trifluoropenta-1,3-dienyl]-1,3-oxazole
CID 167089457
(2E,4E)-4-[5-methyl-4-[(1E)-2-(trifluoromethyl)penta-1,3-dienyl]-1,3-oxazol-2-yl]hepta-2,4,6-trien-3-ol
CID 173472453
(E)-3-(2,5-dimethyl-1,3-oxazol-4-yl)prop-2-enoic acid
CID 57486041

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole (CID 134185791) is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole is C=C/C=C\c1oc(C(C)C)nc1C=C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is BRLBHVUJCHKZKI-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H15NO/c1-5-7-8-11-10(6-2)13-12(14-11)9(3)4/h5-9H,1-2H2,3-4H3/b8-7-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole?
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 134185791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).