5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole

C16H23N5O — CID 96512014

IUPAC5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1n[nH]cc1CCCN1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H23N5O/c1(3-12-9-17-18-10-12)7-21-8-2-4-14(11-21)15-19-16(22-20-15)13-5-6-13/h9-10,13-14H,1-8,11H2,(H,17,18)/t14-/m0/s1
InChIKeyOGTOKWPCBXHZEN-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.48
Rot. Bonds6

About 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 96512014) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID96512014
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1n[nH]cc1CCCN1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H23N5O/c1(3-12-9-17-18-10-12)7-21-8-2-4-14(11-21)15-19-16(22-20-15)13-5-6-13/h9-10,13-14H,1-8,11H2,(H,17,18)/t14-/m0/s1
InChIKeyOGTOKWPCBXHZEN-AWEZNQCLSA-N
XLogP2.48
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 96512014) is 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole is c1n[nH]cc1CCCN1CCC[C@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is OGTOKWPCBXHZEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1(3-12-9-17-18-10-12)7-21-8-2-4-14(11-21)15-19-16(22-20-15)13-5-6-13/h9-10,13-14H,1-8,11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96512014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).