3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole

C18H21N5O — CID 56708461

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCN1CCC(Cc2noc(-c3cccc(-n4cccn4)c3)n2)CC1
InChIInChI=1S/C18H21N5O/c1-22-10-6-14(7-11-22)12-17-20-18(24-21-17)15-4-2-5-16(13-15)23-9-3-8-19-23/h2-5,8-9,13-14H,6-7,10-12H2,1H3
InChIKeyNLHCUQNKOQWYFM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.81
Rot. Bonds4

About 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole

3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 56708461) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID56708461
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCN1CCC(Cc2noc(-c3cccc(-n4cccn4)c3)n2)CC1
InChIInChI=1S/C18H21N5O/c1-22-10-6-14(7-11-22)12-17-20-18(24-21-17)15-4-2-5-16(13-15)23-9-3-8-19-23/h2-5,8-9,13-14H,6-7,10-12H2,1H3
InChIKeyNLHCUQNKOQWYFM-UHFFFAOYSA-N
XLogP2.81
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one
CID 72900095
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 70706677
5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56918634
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080068
5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56701285
3-[(1-methylpiperidin-4-yl)methyl]-5-(3,6,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 70730859
5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56709722
5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221826
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 72937186
3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985715

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole (CID 56708461) is 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole is CN1CCC(Cc2noc(-c3cccc(-n4cccn4)c3)n2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is NLHCUQNKOQWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-10-6-14(7-11-22)12-17-20-18(24-21-17)15-4-2-5-16(13-15)23-9-3-8-19-23/h2-5,8-9,13-14H,6-7,10-12H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56708461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).