(5E)-5-ethylidene-4-methylidene-1,3-oxazole

C6H7NO — CID 135170930

IUPAC(5E)-5-ethylidene-4-methylidene-1,3-oxazole
SMILESC=c1nco/c1=C/C
InChIInChI=1S/C6H7NO/c1-3-6-5(2)7-4-8-6/h3-4H,2H2,1H3/b6-3+
InChIKeyAJIFWLZBHUZEDO-ZZXKWVIFSA-N
MW109.13 g/mol
LogP-0.11
Rot. Bonds

About (5E)-5-ethylidene-4-methylidene-1,3-oxazole

(5E)-5-ethylidene-4-methylidene-1,3-oxazole (PubChem CID 135170930) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (5E)-5-ethylidene-4-methylidene-1,3-oxazole.

Molecular Properties

Compound Name(5E)-5-ethylidene-4-methylidene-1,3-oxazole
PubChem CID135170930
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(5E)-5-ethylidene-4-methylidene-1,3-oxazole
SMILESC=c1nco/c1=C/C
InChIInChI=1S/C6H7NO/c1-3-6-5(2)7-4-8-6/h3-4H,2H2,1H3/b6-3+
InChIKeyAJIFWLZBHUZEDO-ZZXKWVIFSA-N
XLogP-0.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-4-methylidene-1,3-oxazole?
The IUPAC name of (5E)-5-ethylidene-4-methylidene-1,3-oxazole (CID 135170930) is (5E)-5-ethylidene-4-methylidene-1,3-oxazole.
What is the SMILES notation for (5E)-5-ethylidene-4-methylidene-1,3-oxazole?
The canonical SMILES for (5E)-5-ethylidene-4-methylidene-1,3-oxazole is C=c1nco/c1=C/C.
What is the InChIKey of (5E)-5-ethylidene-4-methylidene-1,3-oxazole?
The InChIKey is AJIFWLZBHUZEDO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H7NO/c1-3-6-5(2)7-4-8-6/h3-4H,2H2,1H3/b6-3+.
What are the key properties of (5E)-5-ethylidene-4-methylidene-1,3-oxazole?
(5E)-5-ethylidene-4-methylidene-1,3-oxazole has a molecular weight of 109.13 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-4-methylidene-1,3-oxazole is sourced from PubChem (CID 135170930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).