4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole

C14H18FNO — CID 142936506

IUPAC4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
SMILESC/C=C(\C=C/C1(F)CC1)c1nc(CC)c(C)o1
InChIInChI=1S/C14H18FNO/c1-4-11(6-7-14(15)8-9-14)13-16-12(5-2)10(3)17-13/h4,6-7H,5,8-9H2,1-3H3/b7-6-,11-4+
InChIKeyGVUZMJYZNUHQCV-BJNIYONUSA-N
MW235.30 g/mol
LogP4.01
Rot. Bonds4

About 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole

4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole (PubChem CID 142936506) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
PubChem CID142936506
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
SMILESC/C=C(\C=C/C1(F)CC1)c1nc(CC)c(C)o1
InChIInChI=1S/C14H18FNO/c1-4-11(6-7-14(15)8-9-14)13-16-12(5-2)10(3)17-13/h4,6-7H,5,8-9H2,1-3H3/b7-6-,11-4+
InChIKeyGVUZMJYZNUHQCV-BJNIYONUSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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
4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol
CID 142952129
5-(Bromomethyl)-4-methyl-2-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-1,3-oxazole
CID 143640612
2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
CID 143707719
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 176763539
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
2-Methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 148800021
4,5-dimethyl-2-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-1,3-oxazole
CID 149289412

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole (CID 142936506) is 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole is C/C=C(\C=C/C1(F)CC1)c1nc(CC)c(C)o1.
What is the InChIKey of 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole?
The InChIKey is GVUZMJYZNUHQCV-BJNIYONUSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-11(6-7-14(15)8-9-14)13-16-12(5-2)10(3)17-13/h4,6-7H,5,8-9H2,1-3H3/b7-6-,11-4+.
What are the key properties of 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole?
4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole has a molecular weight of 235.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 142936506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).