[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C15H21N5O2 — CID 56818683

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-3-4-12-9-13(18-17-12)15(21)20-7-5-11(6-8-20)14-16-10(2)19-22-14/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyPSLHBXCQVJAVQM-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.07
Rot. Bonds4

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 56818683) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID56818683
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-3-4-12-9-13(18-17-12)15(21)20-7-5-11(6-8-20)14-16-10(2)19-22-14/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyPSLHBXCQVJAVQM-UHFFFAOYSA-N
XLogP2.07
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 56818683) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n[nH]1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is PSLHBXCQVJAVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-4-12-9-13(18-17-12)15(21)20-7-5-11(6-8-20)14-16-10(2)19-22-14/h9,11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56818683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).