2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide

C23H26F2N6O3 — CID 134584953

IUPAC2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cccc(OC)c2)C(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C1
InChIInChI=1S/C23H26F2N6O3/c1-3-30-9-10-31(23(32)27-17-5-4-6-19(12-17)33-2)18(14-30)11-16-8-7-15(13-26-16)21-28-29-22(34-21)20(24)25/h4-8,12-13,18,20H,3,9-11,14H2,1-2H3,(H,27,32)
InChIKeyFOTNKYKLNWIFLL-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.86
Rot. Bonds7

About 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide

2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 134584953) has the molecular formula C23H26F2N6O3 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID134584953
Molecular FormulaC23H26F2N6O3
Molecular Weight472.50 g/mol
Exact Mass472.20
IUPAC Name2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cccc(OC)c2)C(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C1
InChIInChI=1S/C23H26F2N6O3/c1-3-30-9-10-31(23(32)27-17-5-4-6-19(12-17)33-2)18(14-30)11-16-8-7-15(13-26-16)21-28-29-22(34-21)20(24)25/h4-8,12-13,18,20H,3,9-11,14H2,1-2H3,(H,27,32)
InChIKeyFOTNKYKLNWIFLL-UHFFFAOYSA-N
XLogP3.86
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 134584953) is 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cccc(OC)c2)C(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C1.
What is the InChIKey of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is FOTNKYKLNWIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O3/c1-3-30-9-10-31(23(32)27-17-5-4-6-19(12-17)33-2)18(14-30)11-16-8-7-15(13-26-16)21-28-29-22(34-21)20(24)25/h4-8,12-13,18,20H,3,9-11,14H2,1-2H3,(H,27,32).
What are the key properties of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 134584953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).