5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole

C15H21F2N5O — CID 164634971

IUPAC5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc(C(F)(F)C2CCNCC2)n1
InChIInChI=1S/C15H21F2N5O/c1-9(2)12-11(8-22(3)20-12)13-19-14(23-21-13)15(16,17)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3
InChIKeyAJTJWJBASKGHLT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.68
Rot. Bonds4

About 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole

5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 164634971) has the molecular formula C15H21F2N5O and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID164634971
Molecular FormulaC15H21F2N5O
Molecular Weight325.36 g/mol
Exact Mass325.17
IUPAC Name5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc(C(F)(F)C2CCNCC2)n1
InChIInChI=1S/C15H21F2N5O/c1-9(2)12-11(8-22(3)20-12)13-19-14(23-21-13)15(16,17)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3
InChIKeyAJTJWJBASKGHLT-UHFFFAOYSA-N
XLogP2.68
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole (CID 164634971) is 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole is CC(C)c1nn(C)cc1-c1noc(C(F)(F)C2CCNCC2)n1.
What is the InChIKey of 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is AJTJWJBASKGHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O/c1-9(2)12-11(8-22(3)20-12)13-19-14(23-21-13)15(16,17)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3.
What are the key properties of 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 325.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(piperidin-4-yl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 164634971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).