5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide

C17H15FN4O2 — CID 110392269

IUPAC5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H15FN4O2/c1-22(11-8-12-6-9-19-10-7-12)17(23)16-21-20-15(24-16)13-4-2-3-5-14(13)18/h2-7,9-10H,8,11H2,1H3
InChIKeyUNCCBKMXCPAVFP-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.59
Rot. Bonds5

About 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide

5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392269) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392269
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H15FN4O2/c1-22(11-8-12-6-9-19-10-7-12)17(23)16-21-20-15(24-16)13-4-2-3-5-14(13)18/h2-7,9-10H,8,11H2,1H3
InChIKeyUNCCBKMXCPAVFP-UHFFFAOYSA-N
XLogP2.59
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391082
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82179368
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
2-N-(2-fluorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098699
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392269) is 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide is CN(CCc1ccncc1)C(=O)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UNCCBKMXCPAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-22(11-8-12-6-9-19-10-7-12)17(23)16-21-20-15(24-16)13-4-2-3-5-14(13)18/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).