3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C19H15FN6O2 — CID 20931766

IUPAC3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)cc1-c1noc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C19H15FN6O2/c1-12-16(11-26(24-12)15-7-5-13(20)6-8-15)17-23-19(28-25-17)18(27)22-10-14-4-2-3-9-21-14/h2-9,11H,10H2,1H3,(H,22,27)
InChIKeyDESLGDHOOHZSMN-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.69
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931766) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931766
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)cc1-c1noc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C19H15FN6O2/c1-12-16(11-26(24-12)15-7-5-13(20)6-8-15)17-23-19(28-25-17)18(27)22-10-14-4-2-3-9-21-14/h2-9,11H,10H2,1H3,(H,22,27)
InChIKeyDESLGDHOOHZSMN-UHFFFAOYSA-N
XLogP2.69
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
1-methyl-3-(trifluoromethyl)-N-[(1S)-1-{3-[2-(trifluoromethyl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}ethyl]-1H-pyrazole-5-carboxamide
CID 155272065
3-tert-butyl-N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 135356003
3-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,4-oxadiazole-5-carboxamide
CID 135356007
N-[(1S)-1-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271892
N-[(1S)-1-[3-[2-(difluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271993
N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272188
1-methyl-N-[(1S)-1-[3-[2-(methylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272250
1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162668113
US10899753, Example 18
CID 148610946
US10899753, Example 47
CID 150066188
US10899753, Example 74
CID 150825510

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 20931766) is 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)cc1-c1noc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DESLGDHOOHZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-12-16(11-26(24-12)15-7-5-13(20)6-8-15)17-23-19(28-25-17)18(27)22-10-14-4-2-3-9-21-14/h2-9,11H,10H2,1H3,(H,22,27).
What are the key properties of 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).