N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

C16H22N4O2 — CID 53114467

IUPACN-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)NC2CCCCCC2)o1
InChIInChI=1S/C16H22N4O2/c1-12-18-19-16(22-12)14-9-6-10-20(14)11-15(21)17-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,17,21)
InChIKeyUOHNCYKNCKITKO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.69
Rot. Bonds4

About N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114467) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114467
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)NC2CCCCCC2)o1
InChIInChI=1S/C16H22N4O2/c1-12-18-19-16(22-12)14-9-6-10-20(14)11-15(21)17-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,17,21)
InChIKeyUOHNCYKNCKITKO-UHFFFAOYSA-N
XLogP2.69
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114467) is N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is Cc1nnc(-c2cccn2CC(=O)NC2CCCCCC2)o1.
What is the InChIKey of N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is UOHNCYKNCKITKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-18-19-16(22-12)14-9-6-10-20(14)11-15(21)17-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,17,21).
What are the key properties of N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).