N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide

C20H24F3N3O2 — CID 10386016

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2noc(CCC(F)(F)F)n2)cc1
InChIInChI=1S/C20H24F3N3O2/c1-19(2)10-3-4-15(19)12-24-18(27)14-7-5-13(6-8-14)17-25-16(28-26-17)9-11-20(21,22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,24,27)
InChIKeyUPKVEJDPDNBYBH-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.79
Rot. Bonds6

About N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 10386016) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID10386016
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2noc(CCC(F)(F)F)n2)cc1
InChIInChI=1S/C20H24F3N3O2/c1-19(2)10-3-4-15(19)12-24-18(27)14-7-5-13(6-8-14)17-25-16(28-26-17)9-11-20(21,22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,24,27)
InChIKeyUPKVEJDPDNBYBH-UHFFFAOYSA-N
XLogP4.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 10386016) is N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide is CC1(C)CCCC1CNC(=O)c1ccc(-c2noc(CCC(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is UPKVEJDPDNBYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-19(2)10-3-4-15(19)12-24-18(27)14-7-5-13(6-8-14)17-25-16(28-26-17)9-11-20(21,22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 10386016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).