(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole

C9H9NO — CID 142219564

IUPAC(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole
SMILESC=C/C=c1/cno/c1=C/C=C
InChIInChI=1S/C9H9NO/c1-3-5-8-7-10-11-9(8)6-4-2/h3-7H,1-2H2/b8-5-,9-6+
InChIKeyICGYHXCTMHGJNE-LDFAFZTOSA-N
MW147.18 g/mol
LogP0.61
Rot. Bonds2

About (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole

(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole (PubChem CID 142219564) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole.

Molecular Properties

Compound Name(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole
PubChem CID142219564
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole
SMILESC=C/C=c1/cno/c1=C/C=C
InChIInChI=1S/C9H9NO/c1-3-5-8-7-10-11-9(8)6-4-2/h3-7H,1-2H2/b8-5-,9-6+
InChIKeyICGYHXCTMHGJNE-LDFAFZTOSA-N
XLogP0.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(z)-4-Methylene-5-propylidene-2-oxazolidine
CID 129708989
(5E)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1,2-oxazole
CID 156867694
(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole
CID 156867733
4,5-Di(propan-2-ylidene)-1,2-oxazole
CID 57564396
4-Methyl-5,6-dihydro-1,2-benzoxazole
CID 68285165
Cyclohepta[e]oxazine
CID 87490288
7H-cyclohepta[d][1,2]oxazole
CID 90957562
7-methyl-7H-cyclohepta[d][1,2]oxazole
CID 123808995
(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
CID 138518868
5H-cyclohepta[d][1,2]oxazole;ethane
CID 142873810
7-Oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene
CID 143049777
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole
CID 143124033

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole?
The IUPAC name of (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole (CID 142219564) is (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole.
What is the SMILES notation for (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole?
The canonical SMILES for (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole is C=C/C=c1/cno/c1=C/C=C.
What is the InChIKey of (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole?
The InChIKey is ICGYHXCTMHGJNE-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H9NO/c1-3-5-8-7-10-11-9(8)6-4-2/h3-7H,1-2H2/b8-5-,9-6+.
What are the key properties of (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole?
(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole has a molecular weight of 147.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole is sourced from PubChem (CID 142219564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).