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

C14H19N5O — CID 51104546

IUPAC3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cc(C2CCN(Cc3nc(C4CC4)no3)CC2)[nH]n1
InChIInChI=1S/C14H19N5O/c1-2-11(1)14-16-13(20-18-14)9-19-7-4-10(5-8-19)12-3-6-15-17-12/h3,6,10-11H,1-2,4-5,7-9H2,(H,15,17)
InChIKeyOCSFLTDSHNVTJK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds4

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

3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51104546) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51104546
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cc(C2CCN(Cc3nc(C4CC4)no3)CC2)[nH]n1
InChIInChI=1S/C14H19N5O/c1-2-11(1)14-16-13(20-18-14)9-19-7-4-10(5-8-19)12-3-6-15-17-12/h3,6,10-11H,1-2,4-5,7-9H2,(H,15,17)
InChIKeyOCSFLTDSHNVTJK-UHFFFAOYSA-N
XLogP2.05
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 51104444
CID 51104444
CID 51104461
CID 51104461
CID 51104463
CID 51104463
CID 51104470
CID 51104470
CID 51104532
CID 51104532
CID 51104555
CID 51104555
CID 51104631
CID 51104631
CID 51104632
CID 51104632
CID 51104633
CID 51104633
CID 51104634
CID 51104634
CID 72129495
CID 72129495
CID 72148157
CID 72148157

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 51104546) is 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is c1cc(C2CCN(Cc3nc(C4CC4)no3)CC2)[nH]n1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OCSFLTDSHNVTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-11(1)14-16-13(20-18-14)9-19-7-4-10(5-8-19)12-3-6-15-17-12/h3,6,10-11H,1-2,4-5,7-9H2,(H,15,17).
What are the key properties of 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51104546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).