(4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane

C12H19NO — CID 145249808

IUPAC(4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane
SMILESC/C=C\C=c1\c(C)no\c1=C\C.CC
InChIInChI=1S/C10H13NO.C2H6/c1-4-6-7-9-8(3)11-12-10(9)5-2;1-2/h4-7H,1-3H3;1-2H3/b6-4-,9-7-,10-5+;
InChIKeyOYNAVAOEEDPPSW-VSBCXDQLSA-N
MW193.29 g/mol
LogP2.17
Rot. Bonds1

About (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane

(4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane (PubChem CID 145249808) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane.

Molecular Properties

Compound Name(4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane
PubChem CID145249808
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane
SMILESC/C=C\C=c1\c(C)no\c1=C\C.CC
InChIInChI=1S/C10H13NO.C2H6/c1-4-6-7-9-8(3)11-12-10(9)5-2;1-2/h4-7H,1-3H3;1-2H3/b6-4-,9-7-,10-5+;
InChIKeyOYNAVAOEEDPPSW-VSBCXDQLSA-N
XLogP2.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-di(ethylidene)-3-methyl-1,2-oxazole
CID 91490355
(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole
CID 152998854
3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
CID 147391521
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene
CID 155216921
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
CID 58004744
CID 58004744
2-but-2-enylidene-4-methyl-3-methylidenefuran
CID 123322434
2-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 88995965
(5E,6E)-5-[(Z)-but-2-enylidene]-3-tert-butyl-6-ethylidene-1,3-diazinane-2,4-dione
CID 142842599
3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
CID 130370242
3-[(4Z)-hexa-2,4-dienyl]-4-methyl-1,2,5-oxadiazole
CID 143344953

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane?
The IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane (CID 145249808) is (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane.
What is the SMILES notation for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane?
The canonical SMILES for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane is C/C=C\C=c1\c(C)no\c1=C\C.CC.
What is the InChIKey of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane?
The InChIKey is OYNAVAOEEDPPSW-VSBCXDQLSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-4-6-7-9-8(3)11-12-10(9)5-2;1-2/h4-7H,1-3H3;1-2H3/b6-4-,9-7-,10-5+;.
What are the key properties of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane?
(4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane has a molecular weight of 193.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,2-oxazole;ethane is sourced from PubChem (CID 145249808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).