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

C18H24N4O3 — CID 27100650

IUPAC2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CN2CCCCCC2)n1
InChIInChI=1S/C18H24N4O3/c1-24-15-9-5-4-8-14(15)19-17(23)12-16-20-18(25-21-16)13-22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,23)
InChIKeyCXVFWRIDUUHXOE-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.64
Rot. Bonds6

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

2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 27100650) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID27100650
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CN2CCCCCC2)n1
InChIInChI=1S/C18H24N4O3/c1-24-15-9-5-4-8-14(15)19-17(23)12-16-20-18(25-21-16)13-22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,23)
InChIKeyCXVFWRIDUUHXOE-UHFFFAOYSA-N
XLogP2.64
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 31340973
2-[5-[[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 30008699
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 51924806
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
2-[5-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16586875
N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30125309
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 4965395
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110613173
N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 27100650) is 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1noc(CN2CCCCCC2)n1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is CXVFWRIDUUHXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-15-9-5-4-8-14(15)19-17(23)12-16-20-18(25-21-16)13-22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,23).
What are the key properties of 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 27100650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).