2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole

C9H15NO — CID 70550477

IUPAC2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole
SMILESCC(C)=CCN1C=COC1C
InChIInChI=1S/C9H15NO/c1-8(2)4-5-10-6-7-11-9(10)3/h4,6-7,9H,5H2,1-3H3
InChIKeyIPLQQTMYLBAIEF-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.10
Rot. Bonds2

About 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole

2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole (PubChem CID 70550477) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole
PubChem CID70550477
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole
SMILESCC(C)=CCN1C=COC1C
InChIInChI=1S/C9H15NO/c1-8(2)4-5-10-6-7-11-9(10)3/h4,6-7,9H,5H2,1-3H3
InChIKeyIPLQQTMYLBAIEF-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole?
The IUPAC name of 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole (CID 70550477) is 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole.
What is the SMILES notation for 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole?
The canonical SMILES for 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole is CC(C)=CCN1C=COC1C.
What is the InChIKey of 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole?
The InChIKey is IPLQQTMYLBAIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)4-5-10-6-7-11-9(10)3/h4,6-7,9H,5H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole?
2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbut-2-enyl)-2H-1,3-oxazole is sourced from PubChem (CID 70550477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).