N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide

C18H26N6O2 — CID 120835209

IUPACN-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2ccn(C3CCCNC3)n2)n1)NC1CCCCC1
InChIInChI=1S/C18H26N6O2/c25-17(20-13-5-2-1-3-6-13)11-16-21-18(26-23-16)15-8-10-24(22-15)14-7-4-9-19-12-14/h8,10,13-14,19H,1-7,9,11-12H2,(H,20,25)
InChIKeyPWGILWBEZONVKQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.85
Rot. Bonds5

About N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide

N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 120835209) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID120835209
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2ccn(C3CCCNC3)n2)n1)NC1CCCCC1
InChIInChI=1S/C18H26N6O2/c25-17(20-13-5-2-1-3-6-13)11-16-21-18(26-23-16)15-8-10-24(22-15)14-7-4-9-19-12-14/h8,10,13-14,19H,1-7,9,11-12H2,(H,20,25)
InChIKeyPWGILWBEZONVKQ-UHFFFAOYSA-N
XLogP1.85
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120893864
3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893788
N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100643670
N-cyclohexyl-2-[5-[(2S)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835213
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129330407
N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129339806
N-piperidin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119425726

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide (CID 120835209) is N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc(-c2ccn(C3CCCNC3)n2)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is PWGILWBEZONVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c25-17(20-13-5-2-1-3-6-13)11-16-21-18(26-23-16)15-8-10-24(22-15)14-7-4-9-19-12-14/h8,10,13-14,19H,1-7,9,11-12H2,(H,20,25).
What are the key properties of N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide?
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 120835209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).