3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide

C24H24F2N8O2 — CID 162722157

IUPAC3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)c2)CC1
InChIInChI=1S/C24H24F2N8O2/c1-33-11-9-19(10-12-33)27-22(35)18-4-2-3-17(13-18)21-28-32-34(31-21)14-15-5-7-16(8-6-15)23-29-30-24(36-23)20(25)26/h2-8,13,19-20H,9-12,14H2,1H3,(H,27,35)
InChIKeyXPPMUWYLGUWSJU-UHFFFAOYSA-N
MW494.51 g/mol
LogP3.20
Rot. Bonds7

About 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide

3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 162722157) has the molecular formula C24H24F2N8O2 and a molecular weight of 494.51 g/mol. Its IUPAC name is 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID162722157
Molecular FormulaC24H24F2N8O2
Molecular Weight494.51 g/mol
Exact Mass494.20
IUPAC Name3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)c2)CC1
InChIInChI=1S/C24H24F2N8O2/c1-33-11-9-19(10-12-33)27-22(35)18-4-2-3-17(13-18)21-28-32-34(31-21)14-15-5-7-16(8-6-15)23-29-30-24(36-23)20(25)26/h2-8,13,19-20H,9-12,14H2,1H3,(H,27,35)
InChIKeyXPPMUWYLGUWSJU-UHFFFAOYSA-N
XLogP3.20
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 162722157) is 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2cccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)c2)CC1.
What is the InChIKey of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is XPPMUWYLGUWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8O2/c1-33-11-9-19(10-12-33)27-22(35)18-4-2-3-17(13-18)21-28-32-34(31-21)14-15-5-7-16(8-6-15)23-29-30-24(36-23)20(25)26/h2-8,13,19-20H,9-12,14H2,1H3,(H,27,35).
What are the key properties of 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 494.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 162722157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).