N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C18H20FN5O2 — CID 164846735

IUPACN-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)n(C)n1
InChIInChI=1S/C18H20FN5O2/c1-10(2)14-9-15(24(4)22-14)17(25)20-11(3)18-21-16(23-26-18)12-6-5-7-13(19)8-12/h5-11H,1-4H3,(H,20,25)/t11-/m1/s1
InChIKeyULWUQUYUHCXTQY-LLVKDONJSA-N
MW357.39 g/mol
LogP3.22
Rot. Bonds5

About N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 164846735) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID164846735
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)n(C)n1
InChIInChI=1S/C18H20FN5O2/c1-10(2)14-9-15(24(4)22-14)17(25)20-11(3)18-21-16(23-26-18)12-6-5-7-13(19)8-12/h5-11H,1-4H3,(H,20,25)/t11-/m1/s1
InChIKeyULWUQUYUHCXTQY-LLVKDONJSA-N
XLogP3.22
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 164846735) is N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)n(C)n1.
What is the InChIKey of N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ULWUQUYUHCXTQY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-10(2)14-9-15(24(4)22-14)17(25)20-11(3)18-21-16(23-26-18)12-6-5-7-13(19)8-12/h5-11H,1-4H3,(H,20,25)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164846735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).