(2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C18H25N5O3 — CID 91918779

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc(C4CCOCC4)no3)C2)n(C)n1
InChIInChI=1S/C18H25N5O3/c1-12-10-15(22(2)20-12)18(24)23-7-3-4-14(11-23)17-19-16(21-26-17)13-5-8-25-9-6-13/h10,13-14H,3-9,11H2,1-2H3
InChIKeyMDPKWTHNAQSPSI-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.03
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91918779) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID91918779
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc(C4CCOCC4)no3)C2)n(C)n1
InChIInChI=1S/C18H25N5O3/c1-12-10-15(22(2)20-12)18(24)23-7-3-4-14(11-23)17-19-16(21-26-17)13-5-8-25-9-6-13/h10,13-14H,3-9,11H2,1-2H3
InChIKeyMDPKWTHNAQSPSI-UHFFFAOYSA-N
XLogP2.03
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 91918779) is (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nc(C4CCOCC4)no3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is MDPKWTHNAQSPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-10-15(22(2)20-12)18(24)23-7-3-4-14(11-23)17-19-16(21-26-17)13-5-8-25-9-6-13/h10,13-14H,3-9,11H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).