N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

C18H18FN5O2 — CID 20931773

IUPACN-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)cc1-c1noc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C18H18FN5O2/c1-11-15(10-24(22-11)14-8-6-12(19)7-9-14)16-21-18(26-23-16)17(25)20-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,25)
InChIKeyDRFWMYZPRTXZCL-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.04
Rot. Bonds4

About N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931773) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931773
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)cc1-c1noc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C18H18FN5O2/c1-11-15(10-24(22-11)14-8-6-12(19)7-9-14)16-21-18(26-23-16)17(25)20-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,25)
InChIKeyDRFWMYZPRTXZCL-UHFFFAOYSA-N
XLogP3.04
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 20931773) is N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)cc1-c1noc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DRFWMYZPRTXZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-15(10-24(22-11)14-8-6-12(19)7-9-14)16-21-18(26-23-16)17(25)20-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,25).
What are the key properties of N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).