(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C18H25N5O2 — CID 95227905

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-11(2)8-16-19-17(25-22-16)13-4-3-7-23(10-13)18(24)15-9-14(20-21-15)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyYBOLJPHAZJIMPU-ZDUSSCGKSA-N
MW343.43 g/mol
LogP2.89
Rot. Bonds5

About (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 95227905) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID95227905
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-11(2)8-16-19-17(25-22-16)13-4-3-7-23(10-13)18(24)15-9-14(20-21-15)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyYBOLJPHAZJIMPU-ZDUSSCGKSA-N
XLogP2.89
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 91778298
(8-chloro-2-methylquinolin-4-yl)-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 131928416
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734821
2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120867629
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513956

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 95227905) is (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is YBOLJPHAZJIMPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(2)8-16-19-17(25-22-16)13-4-3-7-23(10-13)18(24)15-9-14(20-21-15)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95227905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).