5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C20H25N5O4S — CID 69053566

IUPAC5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(n3cc(Oc4ccc(S(C)(=O)=O)cc4)cn3)CC2)n1
InChIInChI=1S/C20H25N5O4S/c1-14(2)19-22-20(29-23-19)24-10-8-15(9-11-24)25-13-17(12-21-25)28-16-4-6-18(7-5-16)30(3,26)27/h4-7,12-15H,8-11H2,1-3H3
InChIKeyGBSCQEVWVZQYEN-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.43
Rot. Bonds6

About 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 69053566) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID69053566
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(n3cc(Oc4ccc(S(C)(=O)=O)cc4)cn3)CC2)n1
InChIInChI=1S/C20H25N5O4S/c1-14(2)19-22-20(29-23-19)24-10-8-15(9-11-24)25-13-17(12-21-25)28-16-4-6-18(7-5-16)30(3,26)27/h4-7,12-15H,8-11H2,1-3H3
InChIKeyGBSCQEVWVZQYEN-UHFFFAOYSA-N
XLogP3.43
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 69053566) is 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(n3cc(Oc4ccc(S(C)(=O)=O)cc4)cn3)CC2)n1.
What is the InChIKey of 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is GBSCQEVWVZQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-14(2)19-22-20(29-23-19)24-10-8-15(9-11-24)25-13-17(12-21-25)28-16-4-6-18(7-5-16)30(3,26)27/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 431.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 69053566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).