ethane;5-ethyl-2-methylidene-3H-1,3-oxazole

C8H15NO — CID 142063014

IUPACethane;5-ethyl-2-methylidene-3H-1,3-oxazole
SMILESC=C1NC=C(CC)O1.CC
InChIInChI=1S/C6H9NO.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h4,7H,2-3H2,1H3;1-2H3
InChIKeyRRVHAQSNPVRHJW-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.36
Rot. Bonds1

About ethane;5-ethyl-2-methylidene-3H-1,3-oxazole

ethane;5-ethyl-2-methylidene-3H-1,3-oxazole (PubChem CID 142063014) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;5-ethyl-2-methylidene-3H-1,3-oxazole.

Molecular Properties

Compound Nameethane;5-ethyl-2-methylidene-3H-1,3-oxazole
PubChem CID142063014
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;5-ethyl-2-methylidene-3H-1,3-oxazole
SMILESC=C1NC=C(CC)O1.CC
InChIInChI=1S/C6H9NO.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h4,7H,2-3H2,1H3;1-2H3
InChIKeyRRVHAQSNPVRHJW-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;5-ethyl-2-methylidene-3H-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 ethane;5-ethyl-2-methylidene-3H-1,3-oxazole?
The IUPAC name of ethane;5-ethyl-2-methylidene-3H-1,3-oxazole (CID 142063014) is ethane;5-ethyl-2-methylidene-3H-1,3-oxazole.
What is the SMILES notation for ethane;5-ethyl-2-methylidene-3H-1,3-oxazole?
The canonical SMILES for ethane;5-ethyl-2-methylidene-3H-1,3-oxazole is C=C1NC=C(CC)O1.CC.
What is the InChIKey of ethane;5-ethyl-2-methylidene-3H-1,3-oxazole?
The InChIKey is RRVHAQSNPVRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h4,7H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-methylidene-3H-1,3-oxazole?
ethane;5-ethyl-2-methylidene-3H-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methylidene-3H-1,3-oxazole is sourced from PubChem (CID 142063014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).