[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C19H20FN5O2 — CID 110421450

IUPAC[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nnc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC2)o1
InChIInChI=1S/C19H20FN5O2/c1-12-21-22-18(27-12)14-7-9-25(10-8-14)19(26)16-11-17(24(2)23-16)13-3-5-15(20)6-4-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyGKXLLSLFTXGCHY-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.94
Rot. Bonds3

About [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110421450) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110421450
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nnc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC2)o1
InChIInChI=1S/C19H20FN5O2/c1-12-21-22-18(27-12)14-7-9-25(10-8-14)19(26)16-11-17(24(2)23-16)13-3-5-15(20)6-4-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyGKXLLSLFTXGCHY-UHFFFAOYSA-N
XLogP2.94
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 110421450) is [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1nnc(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GKXLLSLFTXGCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-21-22-18(27-12)14-7-9-25(10-8-14)19(26)16-11-17(24(2)23-16)13-3-5-15(20)6-4-13/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 369.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110421450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).