N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide

C18H22N4O4 — CID 29134887

IUPACN-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCCCC3)n2)cc1
InChIInChI=1S/C18H22N4O4/c1-13(23)19-14-6-8-15(9-7-14)25-12-16-20-17(26-21-16)18(24)22-10-4-2-3-5-11-22/h6-9H,2-5,10-12H2,1H3,(H,19,23)
InChIKeyRGEGRXMDFGRTCX-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.62
Rot. Bonds5

About N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide

N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide (PubChem CID 29134887) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
PubChem CID29134887
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCCCC3)n2)cc1
InChIInChI=1S/C18H22N4O4/c1-13(23)19-14-6-8-15(9-7-14)25-12-16-20-17(26-21-16)18(24)22-10-4-2-3-5-11-22/h6-9H,2-5,10-12H2,1H3,(H,19,23)
InChIKeyRGEGRXMDFGRTCX-UHFFFAOYSA-N
XLogP2.62
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide (CID 29134887) is N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCCCC3)n2)cc1.
What is the InChIKey of N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
The InChIKey is RGEGRXMDFGRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13(23)19-14-6-8-15(9-7-14)25-12-16-20-17(26-21-16)18(24)22-10-4-2-3-5-11-22/h6-9H,2-5,10-12H2,1H3,(H,19,23).
What are the key properties of N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide?
N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 29134887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).