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

C13H17NO — CID 126510314

IUPAC5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole
SMILESC=C/C=C\c1oc(C(C)(C)C)nc1C=C
InChIInChI=1S/C13H17NO/c1-6-8-9-11-10(7-2)14-12(15-11)13(3,4)5/h6-9H,1-2H2,3-5H3/b9-8-
InChIKeySXPOOPPOGNQNOH-HJWRWDBZSA-N
MW203.28 g/mol
LogP3.81
Rot. Bonds3

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

5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole (PubChem CID 126510314) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole
PubChem CID126510314
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole
SMILESC=C/C=C\c1oc(C(C)(C)C)nc1C=C
InChIInChI=1S/C13H17NO/c1-6-8-9-11-10(7-2)14-12(15-11)13(3,4)5/h6-9H,1-2H2,3-5H3/b9-8-
InChIKeySXPOOPPOGNQNOH-HJWRWDBZSA-N
XLogP3.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
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
4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
CID 15176124

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole (CID 126510314) is 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole is C=C/C=C\c1oc(C(C)(C)C)nc1C=C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole?
The InChIKey is SXPOOPPOGNQNOH-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H17NO/c1-6-8-9-11-10(7-2)14-12(15-11)13(3,4)5/h6-9H,1-2H2,3-5H3/b9-8-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole?
5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.81, 3 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]-2-tert-butyl-4-ethenyl-1,3-oxazole is sourced from PubChem (CID 126510314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).