2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole

C13H16FNO2 — CID 143707719

IUPAC2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
SMILESC=Cc1nc(C/C=C\COCCF)c(C=C)o1
InChIInChI=1S/C13H16FNO2/c1-3-12-11(15-13(4-2)17-12)7-5-6-9-16-10-8-14/h3-6H,1-2,7-10H2/b6-5-
InChIKeyAOYMMHCIHGODGE-WAYWQWQTSA-N
MW237.27 g/mol
LogP3.05
Rot. Bonds8

About 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole

2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole (PubChem CID 143707719) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
PubChem CID143707719
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
SMILESC=Cc1nc(C/C=C\COCCF)c(C=C)o1
InChIInChI=1S/C13H16FNO2/c1-3-12-11(15-13(4-2)17-12)7-5-6-9-16-10-8-14/h3-6H,1-2,7-10H2/b6-5-
InChIKeyAOYMMHCIHGODGE-WAYWQWQTSA-N
XLogP3.05
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
5-[(Z)-3-fluoroprop-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 141904051
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
4,5-bis(ethenyl)-2-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-1,3-oxazole
CID 142810880
4-Ethyl-2-(4-fluorocyclohepta-1,3-dien-1-yl)-5-methyl-1,3-oxazole
CID 142936155
4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
CID 142936506
2-Methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 148800021
2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol
CID 22933314
2-[(E)-hex-1-enyl]-4,5-dimethyl-1,3-oxazole
CID 57753804
2-[5-Methyl-2-(1-penten-1-yl)oxazol-4-yl]ethanol
CID 69060333
5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole
CID 88993614

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole?
The IUPAC name of 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole (CID 143707719) is 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole.
What is the SMILES notation for 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole?
The canonical SMILES for 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole is C=Cc1nc(C/C=C\COCCF)c(C=C)o1.
What is the InChIKey of 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole?
The InChIKey is AOYMMHCIHGODGE-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-12-11(15-13(4-2)17-12)7-5-6-9-16-10-8-14/h3-6H,1-2,7-10H2/b6-5-.
What are the key properties of 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole?
2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole has a molecular weight of 237.27 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole is sourced from PubChem (CID 143707719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).