4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole

C9H11NO — CID 162433199

IUPAC4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole
SMILESC=C/C(C)=C\c1ocnc1C
InChIInChI=1S/C9H11NO/c1-4-7(2)5-9-8(3)10-6-11-9/h4-6H,1H2,2-3H3/b7-5-
InChIKeyBIEPBFSJGDLXPZ-ALCCZGGFSA-N
MW149.19 g/mol
LogP2.57
Rot. Bonds2

About 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole

4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole (PubChem CID 162433199) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole
PubChem CID162433199
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole
SMILESC=C/C(C)=C\c1ocnc1C
InChIInChI=1S/C9H11NO/c1-4-7(2)5-9-8(3)10-6-11-9/h4-6H,1H2,2-3H3/b7-5-
InChIKeyBIEPBFSJGDLXPZ-ALCCZGGFSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-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

(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-oxazole
CID 156867767
2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
CID 143115649
5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole
CID 177189333
1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole
CID 144533587
1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole
CID 89150454
CID 142005482
CID 142005482
4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
CID 138980431
ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol
CID 145060390
3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
CID 142079801
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
CID 164562053
4-methyl-1,3-oxazole-5-carbonyl chloride
CID 2795217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole?
The IUPAC name of 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole (CID 162433199) is 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole?
The canonical SMILES for 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole is C=C/C(C)=C\c1ocnc1C.
What is the InChIKey of 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole?
The InChIKey is BIEPBFSJGDLXPZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-7(2)5-9-8(3)10-6-11-9/h4-6H,1H2,2-3H3/b7-5-.
What are the key properties of 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole?
4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole is sourced from PubChem (CID 162433199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).