2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide

C17H22N4O3 — CID 135998677

IUPAC2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1)N1CCCCCC1
InChIInChI=1S/C17H22N4O3/c1-12(21-9-4-2-3-5-10-21)16(22)18-14-8-6-7-13(11-14)15-19-17(23)24-20-15/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyFWUXIFPOIMFHEK-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.23
Rot. Bonds4

About 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide

2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide (PubChem CID 135998677) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide
PubChem CID135998677
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1)N1CCCCCC1
InChIInChI=1S/C17H22N4O3/c1-12(21-9-4-2-3-5-10-21)16(22)18-14-8-6-7-13(11-14)15-19-17(23)24-20-15/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyFWUXIFPOIMFHEK-UHFFFAOYSA-N
XLogP2.23
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide (CID 135998677) is 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide is CC(C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide?
The InChIKey is FWUXIFPOIMFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(21-9-4-2-3-5-10-21)16(22)18-14-8-6-7-13(11-14)15-19-17(23)24-20-15/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide?
2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 135998677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).