5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole

C10H13NO — CID 123187220

IUPAC5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole
SMILESCC=c1ocnc1=CC=C(C)C
InChIInChI=1S/C10H13NO/c1-4-10-9(11-7-12-10)6-5-8(2)3/h4-7H,1-3H3
InChIKeyZQGMDDGWQIBXQW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.22
Rot. Bonds1

About 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole

5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole (PubChem CID 123187220) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole.

Molecular Properties

Compound Name5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole
PubChem CID123187220
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole
SMILESCC=c1ocnc1=CC=C(C)C
InChIInChI=1S/C10H13NO/c1-4-10-9(11-7-12-10)6-5-8(2)3/h4-7H,1-3H3
InChIKeyZQGMDDGWQIBXQW-UHFFFAOYSA-N
XLogP1.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole?
The IUPAC name of 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole (CID 123187220) is 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole.
What is the SMILES notation for 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole?
The canonical SMILES for 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole is CC=c1ocnc1=CC=C(C)C.
What is the InChIKey of 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole?
The InChIKey is ZQGMDDGWQIBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-10-9(11-7-12-10)6-5-8(2)3/h4-7H,1-3H3.
What are the key properties of 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole?
5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole has a molecular weight of 163.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-(3-methylbut-2-enylidene)-1,3-oxazole is sourced from PubChem (CID 123187220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).