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

C20H27N3O2 — CID 21361571

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1
InChIInChI=1S/C20H27N3O2/c1-4-6-17-22-19(25-23-17)15-10-8-14(9-11-15)18(24)21-13-16-7-5-12-20(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyNDZHEZRTRXOGFW-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.25
Rot. Bonds6

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

N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 21361571) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID21361571
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1
InChIInChI=1S/C20H27N3O2/c1-4-6-17-22-19(25-23-17)15-10-8-14(9-11-15)18(24)21-13-16-7-5-12-20(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyNDZHEZRTRXOGFW-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.25
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-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide (CID 21361571) is N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide is CCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is NDZHEZRTRXOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-6-17-22-19(25-23-17)15-10-8-14(9-11-15)18(24)21-13-16-7-5-12-20(16,2)3/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 341.46 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 N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 21361571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).