4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole

C9H11NO — CID 123561161

IUPAC4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C=CC
InChIInChI=1S/C9H11NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H,2H2,1,3H3
InChIKeyJOPCJTQGOKENCK-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.66
Rot. Bonds2

About 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole

4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole (PubChem CID 123561161) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole.

Molecular Properties

Compound Name4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole
PubChem CID123561161
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C=CC
InChIInChI=1S/C9H11NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H,2H2,1,3H3
InChIKeyJOPCJTQGOKENCK-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethenyl-2-methyl-5-prop-1-enyl-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

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole?
The IUPAC name of 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole (CID 123561161) is 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole.
What is the SMILES notation for 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole?
The canonical SMILES for 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole is C=Cc1nc(C)oc1C=CC.
What is the InChIKey of 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole?
The InChIKey is JOPCJTQGOKENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H,2H2,1,3H3.
What are the key properties of 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole?
4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-5-prop-1-enyl-1,3-oxazole is sourced from PubChem (CID 123561161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).