2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

C24H35N5O2 — CID 78870822

IUPAC2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(C(C)c3nc(Cc4ccccc4)no3)CC2)C1
InChIInChI=1S/C24H35N5O2/c1-18-7-6-10-21(15-18)25-23(30)17-28-11-13-29(14-12-28)19(2)24-26-22(27-31-24)16-20-8-4-3-5-9-20/h3-5,8-9,18-19,21H,6-7,10-17H2,1-2H3,(H,25,30)
InChIKeyDEQULXVXJFEJMJ-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.03
Rot. Bonds7

About 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (PubChem CID 78870822) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
PubChem CID78870822
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(C(C)c3nc(Cc4ccccc4)no3)CC2)C1
InChIInChI=1S/C24H35N5O2/c1-18-7-6-10-21(15-18)25-23(30)17-28-11-13-29(14-12-28)19(2)24-26-22(27-31-24)16-20-8-4-3-5-9-20/h3-5,8-9,18-19,21H,6-7,10-17H2,1-2H3,(H,25,30)
InChIKeyDEQULXVXJFEJMJ-UHFFFAOYSA-N
XLogP3.03
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (CID 78870822) is 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is CC1CCCC(NC(=O)CN2CCN(C(C)c3nc(Cc4ccccc4)no3)CC2)C1.
What is the InChIKey of 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The InChIKey is DEQULXVXJFEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-18-7-6-10-21(15-18)25-23(30)17-28-11-13-29(14-12-28)19(2)24-26-22(27-31-24)16-20-8-4-3-5-9-20/h3-5,8-9,18-19,21H,6-7,10-17H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide has a molecular weight of 425.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 78870822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).