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

C19H23N3O2 — CID 96569398

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCCC1
InChIInChI=1S/C19H23N3O2/c1-19(10-2-3-11-19)12-20-17(23)14-6-8-15(9-7-14)18-21-16(22-24-18)13-4-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,20,23)
InChIKeyAMGUPDGFMAUNBH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.92
Rot. Bonds5

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

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide (PubChem CID 96569398) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide
PubChem CID96569398
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCCC1
InChIInChI=1S/C19H23N3O2/c1-19(10-2-3-11-19)12-20-17(23)14-6-8-15(9-7-14)18-21-16(22-24-18)13-4-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,20,23)
InChIKeyAMGUPDGFMAUNBH-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide (CID 96569398) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide is CC1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCCC1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide?
The InChIKey is AMGUPDGFMAUNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(10-2-3-11-19)12-20-17(23)14-6-8-15(9-7-14)18-21-16(22-24-18)13-4-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,20,23).
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 96569398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).