5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C12H19N5O3 — CID 91771005

IUPAC5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CNC(=O)CN2CCCCCC2)n1
InChIInChI=1S/C12H19N5O3/c13-11(19)12-15-10(20-16-12)7-14-9(18)8-17-5-3-1-2-4-6-17/h1-8H2,(H2,13,19)(H,14,18)
InChIKeyBAAJWRKVGDKOQV-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.34
Rot. Bonds5

About 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91771005) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID91771005
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CNC(=O)CN2CCCCCC2)n1
InChIInChI=1S/C12H19N5O3/c13-11(19)12-15-10(20-16-12)7-14-9(18)8-17-5-3-1-2-4-6-17/h1-8H2,(H2,13,19)(H,14,18)
InChIKeyBAAJWRKVGDKOQV-UHFFFAOYSA-N
XLogP-0.34
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97191905
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-1-ylacetamide
CID 61014230
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841607
5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790051
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118773656
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 99787380
2-(azonan-1-yl)acetohydrazide
CID 130750156
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46988239

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 91771005) is 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(CNC(=O)CN2CCCCCC2)n1.
What is the InChIKey of 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BAAJWRKVGDKOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-11(19)12-15-10(20-16-12)7-14-9(18)8-17-5-3-1-2-4-6-17/h1-8H2,(H2,13,19)(H,14,18).
What are the key properties of 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91771005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).