N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

C22H23FN4O2 — CID 50827954

IUPACN-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)NCc4ccc(F)cc4)n3)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-15-10-12-27(13-11-15)19-8-4-17(5-9-19)20-25-22(29-26-20)21(28)24-14-16-2-6-18(23)7-3-16/h2-9,15H,10-14H2,1H3,(H,24,28)
InChIKeyHSJSHJJGBFJAGV-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827954) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827954
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)NCc4ccc(F)cc4)n3)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-15-10-12-27(13-11-15)19-8-4-17(5-9-19)20-25-22(29-26-20)21(28)24-14-16-2-6-18(23)7-3-16/h2-9,15H,10-14H2,1H3,(H,24,28)
InChIKeyHSJSHJJGBFJAGV-UHFFFAOYSA-N
XLogP4.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827829
N-[(4-ethoxyphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827871
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828059
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
N-[(2-ethoxyphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827806
(4-fluorophenyl)-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827967
N-[(3,5-difluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175267
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828013
3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827807
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 38152467
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 50827954) is N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(c2ccc(-c3noc(C(=O)NCc4ccc(F)cc4)n3)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HSJSHJJGBFJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-10-12-27(13-11-15)19-8-4-17(5-9-19)20-25-22(29-26-20)21(28)24-14-16-2-6-18(23)7-3-16/h2-9,15H,10-14H2,1H3,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).