(2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol

C10H11FN2O2 — CID 143879562

IUPAC(2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol
SMILESC=C/C(=C(F)\C=C(/C)O)c1nnc(C)o1
InChIInChI=1S/C10H11FN2O2/c1-4-8(9(11)5-6(2)14)10-13-12-7(3)15-10/h4-5,14H,1H2,2-3H3/b6-5+,9-8-
InChIKeyDEVWHMLTZGPAEU-NKEWZBFXSA-N
MW210.21 g/mol
LogP2.71
Rot. Bonds3

About (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol

(2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol (PubChem CID 143879562) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol
PubChem CID143879562
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name(2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol
SMILESC=C/C(=C(F)\C=C(/C)O)c1nnc(C)o1
InChIInChI=1S/C10H11FN2O2/c1-4-8(9(11)5-6(2)14)10-13-12-7(3)15-10/h4-5,14H,1H2,2-3H3/b6-5+,9-8-
InChIKeyDEVWHMLTZGPAEU-NKEWZBFXSA-N
XLogP2.71
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole
CID 143331096
2-(difluoromethyl)-5-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3,4-oxadiazole
CID 162722599
(2E,4E)-2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trienoic acid
CID 87693694
2-Hepta-1,3,5-trien-4-yl-5-methyl-1,3,4-oxadiazole
CID 123142500
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole
CID 134485087
2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole
CID 143006481
ethane;2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole
CID 143331095
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-1,3,4-oxadiazole
CID 143524389
ethane;ethene;2-ethyl-5-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,4-oxadiazole
CID 143701297
ethane;2-ethyl-5-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,4-oxadiazole
CID 143701343
ethane;2-methyl-5-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-1,3,4-oxadiazole
CID 143765527
2-Cyclohepta-1,3,4,6-tetraen-1-yl-5-methyl-1,3,4-oxadiazole;ethane
CID 143849050

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol?
The IUPAC name of (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol (CID 143879562) is (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol is C=C/C(=C(F)\C=C(/C)O)c1nnc(C)o1.
What is the InChIKey of (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol?
The InChIKey is DEVWHMLTZGPAEU-NKEWZBFXSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-4-8(9(11)5-6(2)14)10-13-12-7(3)15-10/h4-5,14H,1H2,2-3H3/b6-5+,9-8-.
What are the key properties of (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol?
(2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol has a molecular weight of 210.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)hepta-2,4,6-trien-2-ol is sourced from PubChem (CID 143879562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).