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

C17H24N4O2 — CID 53114469

IUPACN-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)NC2CCCCCCC2)o1
InChIInChI=1S/C17H24N4O2/c1-13-19-20-17(23-13)15-10-7-11-21(15)12-16(22)18-14-8-5-3-2-4-6-9-14/h7,10-11,14H,2-6,8-9,12H2,1H3,(H,18,22)
InChIKeyZNNBEMUCRFWACE-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.08
Rot. Bonds4

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

N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114469) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114469
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)NC2CCCCCCC2)o1
InChIInChI=1S/C17H24N4O2/c1-13-19-20-17(23-13)15-10-7-11-21(15)12-16(22)18-14-8-5-3-2-4-6-9-14/h7,10-11,14H,2-6,8-9,12H2,1H3,(H,18,22)
InChIKeyZNNBEMUCRFWACE-UHFFFAOYSA-N
XLogP3.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53114547
N-[(4-Fluorophenyl)methyl]-2-[2-(5-methyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]acetamide
CID 53114481
N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide
CID 53114483
N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]acetamide
CID 53114486
N-(4-Fluoro-2-methylphenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]acetamide
CID 53114487
N-(2,4-Difluorophenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]acetamide
CID 53114511
2-[2-(5-Ethyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]-N-(2-ethylphenyl)acetamide
CID 53114514
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
CID 53114516
N-Benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]acetamide
CID 53114528
2-[2-(5-Cyclopropyl-1,3,4-oxadiazol-2-YL)-1H-pyrrol-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 53114570
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53114572
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 53114579

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114469) is N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is Cc1nnc(-c2cccn2CC(=O)NC2CCCCCCC2)o1.
What is the InChIKey of N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is ZNNBEMUCRFWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-19-20-17(23-13)15-10-7-11-21(15)12-16(22)18-14-8-5-3-2-4-6-9-14/h7,10-11,14H,2-6,8-9,12H2,1H3,(H,18,22).
What are the key properties of N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).