N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide

C19H21N5O3 — CID 53175176

IUPACN-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccnc(N4CCCCC4)c3)no2)o1
InChIInChI=1S/C19H21N5O3/c1-13-5-6-15(26-13)12-21-18(25)19-22-17(23-27-19)14-7-8-20-16(11-14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,25)
InChIKeyZSMXWYJPMWRAQZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.95
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide

N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53175176) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53175176
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccnc(N4CCCCC4)c3)no2)o1
InChIInChI=1S/C19H21N5O3/c1-13-5-6-15(26-13)12-21-18(25)19-22-17(23-27-19)14-7-8-20-16(11-14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,25)
InChIKeyZSMXWYJPMWRAQZ-UHFFFAOYSA-N
XLogP2.95
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[2-(azepan-1-yl)-4-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175304
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294
N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175231
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
N-[(3,5-difluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175267
N-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175257
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175244

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide (CID 53175176) is N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3ccnc(N4CCCCC4)c3)no2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZSMXWYJPMWRAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-5-6-15(26-13)12-21-18(25)19-22-17(23-27-19)14-7-8-20-16(11-14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53175176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).