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

C18H27N5O2 — CID 51984868

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(c3nc(C(C)C)no3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-12(2)17-19-18(25-21-17)15-5-8-22(9-6-15)16(24)7-10-23-14(4)11-13(3)20-23/h11-12,15H,5-10H2,1-4H3
InChIKeyAWKIIVBLHQOILR-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.80
Rot. Bonds5

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

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 51984868) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID51984868
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(c3nc(C(C)C)no3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-12(2)17-19-18(25-21-17)15-5-8-22(9-6-15)16(24)7-10-23-14(4)11-13(3)20-23/h11-12,15H,5-10H2,1-4H3
InChIKeyAWKIIVBLHQOILR-UHFFFAOYSA-N
XLogP2.80
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.80
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-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 51984868) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCC(c3nc(C(C)C)no3)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AWKIIVBLHQOILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)17-19-18(25-21-17)15-5-8-22(9-6-15)16(24)7-10-23-14(4)11-13(3)20-23/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.45 g/mol, XLogP of 2.80, 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-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 51984868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).