4,5-di(ethylidene)-3-methyl-1,2-oxazole

C8H11NO — CID 91490355

IUPAC4,5-di(ethylidene)-3-methyl-1,2-oxazole
SMILESCC=c1onc(C)c1=CC
InChIInChI=1S/C8H11NO/c1-4-7-6(3)9-10-8(7)5-2/h4-5H,1-3H3
InChIKeyNSZQFARNNNNBEI-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.58
Rot. Bonds

About 4,5-di(ethylidene)-3-methyl-1,2-oxazole

4,5-di(ethylidene)-3-methyl-1,2-oxazole (PubChem CID 91490355) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5-di(ethylidene)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4,5-di(ethylidene)-3-methyl-1,2-oxazole
PubChem CID91490355
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5-di(ethylidene)-3-methyl-1,2-oxazole
SMILESCC=c1onc(C)c1=CC
InChIInChI=1S/C8H11NO/c1-4-7-6(3)9-10-8(7)5-2/h4-5H,1-3H3
InChIKeyNSZQFARNNNNBEI-UHFFFAOYSA-N
XLogP0.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(ethylidene)-3-methyl-1,2-oxazole?
The IUPAC name of 4,5-di(ethylidene)-3-methyl-1,2-oxazole (CID 91490355) is 4,5-di(ethylidene)-3-methyl-1,2-oxazole.
What is the SMILES notation for 4,5-di(ethylidene)-3-methyl-1,2-oxazole?
The canonical SMILES for 4,5-di(ethylidene)-3-methyl-1,2-oxazole is CC=c1onc(C)c1=CC.
What is the InChIKey of 4,5-di(ethylidene)-3-methyl-1,2-oxazole?
The InChIKey is NSZQFARNNNNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-4-7-6(3)9-10-8(7)5-2/h4-5H,1-3H3.
What are the key properties of 4,5-di(ethylidene)-3-methyl-1,2-oxazole?
4,5-di(ethylidene)-3-methyl-1,2-oxazole has a molecular weight of 137.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(ethylidene)-3-methyl-1,2-oxazole is sourced from PubChem (CID 91490355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).