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

C21H27N3O2 — CID 21361503

IUPAC4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2)11-3-4-17(21)13-22-19(25)15-7-9-16(10-8-15)20-23-18(24-26-20)12-14-5-6-14/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,25)
InChIKeyVUAVVASOIWWPDG-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.25
Rot. Bonds6

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

4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide (PubChem CID 21361503) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
PubChem CID21361503
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2)11-3-4-17(21)13-22-19(25)15-7-9-16(10-8-15)20-23-18(24-26-20)12-14-5-6-14/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,25)
InChIKeyVUAVVASOIWWPDG-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide (CID 21361503) is 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide is CC1(C)CCCC1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1.
What is the InChIKey of 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The InChIKey is VUAVVASOIWWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2)11-3-4-17(21)13-22-19(25)15-7-9-16(10-8-15)20-23-18(24-26-20)12-14-5-6-14/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,25).
What are the key properties of 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 21361503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).