4-ethylidene-5-propylidene-1,3-oxazole

C8H11NO — CID 90877108

IUPAC4-ethylidene-5-propylidene-1,3-oxazole
SMILESCC=c1ncoc1=CCC
InChIInChI=1S/C8H11NO/c1-3-5-8-7(4-2)9-6-10-8/h4-6H,3H2,1-2H3
InChIKeyQZRNGFUIRLAPPR-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.67
Rot. Bonds1

About 4-ethylidene-5-propylidene-1,3-oxazole

4-ethylidene-5-propylidene-1,3-oxazole (PubChem CID 90877108) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-ethylidene-5-propylidene-1,3-oxazole.

Molecular Properties

Compound Name4-ethylidene-5-propylidene-1,3-oxazole
PubChem CID90877108
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-ethylidene-5-propylidene-1,3-oxazole
SMILESCC=c1ncoc1=CCC
InChIInChI=1S/C8H11NO/c1-3-5-8-7(4-2)9-6-10-8/h4-6H,3H2,1-2H3
InChIKeyQZRNGFUIRLAPPR-UHFFFAOYSA-N
XLogP0.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethylidene-5-propylidene-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-ethylidene-5-propylidene-1,3-oxazole?
The IUPAC name of 4-ethylidene-5-propylidene-1,3-oxazole (CID 90877108) is 4-ethylidene-5-propylidene-1,3-oxazole.
What is the SMILES notation for 4-ethylidene-5-propylidene-1,3-oxazole?
The canonical SMILES for 4-ethylidene-5-propylidene-1,3-oxazole is CC=c1ncoc1=CCC.
What is the InChIKey of 4-ethylidene-5-propylidene-1,3-oxazole?
The InChIKey is QZRNGFUIRLAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-8-7(4-2)9-6-10-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethylidene-5-propylidene-1,3-oxazole?
4-ethylidene-5-propylidene-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5-propylidene-1,3-oxazole is sourced from PubChem (CID 90877108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).