N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

C17H18FN3O2 — CID 110392233

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H18FN3O2/c18-14-9-5-4-8-13(14)16-20-21-17(23-16)15(22)19-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,19,22)
InChIKeyZFBYLKNKRPXXJM-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392233) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392233
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H18FN3O2/c18-14-9-5-4-8-13(14)16-20-21-17(23-16)15(22)19-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,19,22)
InChIKeyZFBYLKNKRPXXJM-UHFFFAOYSA-N
XLogP3.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 23004471
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 2586495
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17402542
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392233) is N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCC1=CCCCC1)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZFBYLKNKRPXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-9-5-4-8-13(14)16-20-21-17(23-16)15(22)19-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).