3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole

C9H11NO — CID 142206961

IUPAC3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole
SMILESCC(C)=C/C=C/c1ccon1
InChIInChI=1S/C9H11NO/c1-8(2)4-3-5-9-6-7-11-10-9/h3-7H,1-2H3/b5-3+
InChIKeyFHZNGXLZPHCACZ-HWKANZROSA-N
MW149.19 g/mol
LogP2.65
Rot. Bonds2

About 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole

3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole (PubChem CID 142206961) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole
PubChem CID142206961
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole
SMILESCC(C)=C/C=C/c1ccon1
InChIInChI=1S/C9H11NO/c1-8(2)4-3-5-9-6-7-11-10-9/h3-7H,1-2H3/b5-3+
InChIKeyFHZNGXLZPHCACZ-HWKANZROSA-N
XLogP2.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.65
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

3-Methylisoxazole
CID 96098
3-Ethenyl-1,2-oxazole
CID 11018809
3-[(3E)-5-fluorohexa-3,5-dien-3-yl]-1,2-oxazole
CID 166774866
(Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoic acid
CID 170439198
ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate
CID 170619161
3-[2-(Trifluoromethyl)hept-1-enyl]-1,2-oxazole
CID 175325188
3-(2,2-Dichloroethenyl)-1,2-oxazole
CID 14687246
3-Cyclohexa-1,3-dien-1-yl-1,2-oxazole
CID 91472039
Isoxazolylvinyl ketone
CID 154926152
Isoxazolylallylamine
CID 156905784
Onezatvskdsvaf-uhfffaoysa-
CID 12428068
Ckdwealfcneqsn-uhfffaoysa-
CID 23269655

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole?
The IUPAC name of 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole (CID 142206961) is 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole.
What is the SMILES notation for 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole?
The canonical SMILES for 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole is CC(C)=C/C=C/c1ccon1.
What is the InChIKey of 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole?
The InChIKey is FHZNGXLZPHCACZ-HWKANZROSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(2)4-3-5-9-6-7-11-10-9/h3-7H,1-2H3/b5-3+.
What are the key properties of 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole?
3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-4-methylpenta-1,3-dienyl]-1,2-oxazole is sourced from PubChem (CID 142206961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).