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

C16H13FN4O2 — CID 5309957

IUPAC5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C16H13FN4O2/c17-13-5-3-11(4-6-13)8-14-20-21-16(23-14)15(22)19-10-12-2-1-7-18-9-12/h1-7,9H,8,10H2,(H,19,22)
InChIKeyJLAKYWORXVIEOL-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.12
Rot. Bonds5

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

5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5309957) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID5309957
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C16H13FN4O2/c17-13-5-3-11(4-6-13)8-14-20-21-16(23-14)15(22)19-10-12-2-1-7-18-9-12/h1-7,9H,8,10H2,(H,19,22)
InChIKeyJLAKYWORXVIEOL-UHFFFAOYSA-N
XLogP2.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5308447
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)propanamide
CID 16187620
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)propanamide
CID 16188783
5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 155566837
5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 666624
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-3-ylethyl)propanamide
CID 16188222
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 16192388
5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299049
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyl)ethyl]propanamide
CID 16188109
5-benzyl-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299155
2-Fluoro-N-[(5-{[(pyridin-3-YL)methyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]benzamide
CID 3669096
5-[(4-Fluorophenyl)methyl]-N-[(pyridin-4-YL)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431551

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 5309957) is 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1cccnc1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JLAKYWORXVIEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-13-5-3-11(4-6-13)8-14-20-21-16(23-14)15(22)19-10-12-2-1-7-18-9-12/h1-7,9H,8,10H2,(H,19,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5309957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).