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

C16H22N4O2 — CID 53114508

IUPACN-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)NC2CCCCC2)o1
InChIInChI=1S/C16H22N4O2/c1-2-15-18-19-16(22-15)13-9-6-10-20(13)11-14(21)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,21)
InChIKeyALWLAFBHKLOSGS-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.55
Rot. Bonds5

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

N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114508) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114508
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)NC2CCCCC2)o1
InChIInChI=1S/C16H22N4O2/c1-2-15-18-19-16(22-15)13-9-6-10-20(13)11-14(21)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,21)
InChIKeyALWLAFBHKLOSGS-UHFFFAOYSA-N
XLogP2.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114508) is N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is CCc1nnc(-c2cccn2CC(=O)NC2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is ALWLAFBHKLOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-15-18-19-16(22-15)13-9-6-10-20(13)11-14(21)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,21).
What are the key properties of N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).