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

C7H9NO — CID 139378645

IUPAC(4E,5E)-4,5-di(ethylidene)-1,3-oxazole
SMILESC/C=c1/nco/c1=C/C
InChIInChI=1S/C7H9NO/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3/b6-3+,7-4+
InChIKeyUBRDNOJRVVVTDV-XOKGJFMYSA-N
MW123.15 g/mol
LogP0.28
Rot. Bonds

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

(4E,5E)-4,5-di(ethylidene)-1,3-oxazole (PubChem CID 139378645) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1,3-oxazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1,3-oxazole
PubChem CID139378645
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1,3-oxazole
SMILESC/C=c1/nco/c1=C/C
InChIInChI=1S/C7H9NO/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3/b6-3+,7-4+
InChIKeyUBRDNOJRVVVTDV-XOKGJFMYSA-N
XLogP0.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-oxazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-oxazole (CID 139378645) is (4E,5E)-4,5-di(ethylidene)-1,3-oxazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1,3-oxazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1,3-oxazole is C/C=c1/nco/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1,3-oxazole?
The InChIKey is UBRDNOJRVVVTDV-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-6-7(4-2)9-5-8-6/h3-5H,1-2H3/b6-3+,7-4+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1,3-oxazole?
(4E,5E)-4,5-di(ethylidene)-1,3-oxazole has a molecular weight of 123.15 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1,3-oxazole is sourced from PubChem (CID 139378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).