3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C17H25N5O2 — CID 51984850

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-4-15-18-17(24-20-15)14-5-8-21(9-6-14)16(23)7-10-22-13(3)11-12(2)19-22/h11,14H,4-10H2,1-3H3
InChIKeyGCOYBDLKCMJKDN-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.24
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 51984850) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID51984850
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-4-15-18-17(24-20-15)14-5-8-21(9-6-14)16(23)7-10-22-13(3)11-12(2)19-22/h11,14H,4-10H2,1-3H3
InChIKeyGCOYBDLKCMJKDN-UHFFFAOYSA-N
XLogP2.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 51984850) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CCc1noc(C2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GCOYBDLKCMJKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15-18-17(24-20-15)14-5-8-21(9-6-14)16(23)7-10-22-13(3)11-12(2)19-22/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51984850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).