1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone

C15H20N4O2 — CID 53114472

IUPAC1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone
SMILESCc1nnc(-c2cccn2CC(=O)N2CCCCCC2)o1
InChIInChI=1S/C15H20N4O2/c1-12-16-17-15(21-12)13-7-6-10-19(13)11-14(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyTYZOJFHRNITENC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.25
Rot. Bonds3

About 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone

1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone (PubChem CID 53114472) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone
PubChem CID53114472
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone
SMILESCc1nnc(-c2cccn2CC(=O)N2CCCCCC2)o1
InChIInChI=1S/C15H20N4O2/c1-12-16-17-15(21-12)13-7-6-10-19(13)11-14(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyTYZOJFHRNITENC-UHFFFAOYSA-N
XLogP2.25
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone (CID 53114472) is 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone is Cc1nnc(-c2cccn2CC(=O)N2CCCCCC2)o1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone?
The InChIKey is TYZOJFHRNITENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12-16-17-15(21-12)13-7-6-10-19(13)11-14(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone?
1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 53114472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).