N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide

C18H24N4O2 — CID 53159529

IUPACN-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)c1nnc(N2CCCCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-14(23)19-16(13-15-9-5-4-6-10-15)17-20-21-18(24-17)22-11-7-2-3-8-12-22/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,19,23)
InChIKeyBYLJCLTXDQWPJD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds5

About N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide

N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide (PubChem CID 53159529) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
PubChem CID53159529
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)c1nnc(N2CCCCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-14(23)19-16(13-15-9-5-4-6-10-15)17-20-21-18(24-17)22-11-7-2-3-8-12-22/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,19,23)
InChIKeyBYLJCLTXDQWPJD-UHFFFAOYSA-N
XLogP2.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
The IUPAC name of N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide (CID 53159529) is N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide.
What is the SMILES notation for N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
The canonical SMILES for N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide is CC(=O)NC(Cc1ccccc1)c1nnc(N2CCCCCC2)o1.
What is the InChIKey of N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
The InChIKey is BYLJCLTXDQWPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(23)19-16(13-15-9-5-4-6-10-15)17-20-21-18(24-17)22-11-7-2-3-8-12-22/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,19,23).
What are the key properties of N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide is sourced from PubChem (CID 53159529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).