[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone

C17H22N4O3 — CID 75475086

IUPAC[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOCc1nc(C2CCCCCN2C(=O)c2cccc(C)n2)no1
InChIInChI=1S/C17H22N4O3/c1-12-7-6-8-13(18-12)17(22)21-10-5-3-4-9-14(21)16-19-15(11-23-2)24-20-16/h6-8,14H,3-5,9-11H2,1-2H3
InChIKeyLPNMDTPGLYVQTR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.68
Rot. Bonds4

About [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone

[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 75475086) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID75475086
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOCc1nc(C2CCCCCN2C(=O)c2cccc(C)n2)no1
InChIInChI=1S/C17H22N4O3/c1-12-7-6-8-13(18-12)17(22)21-10-5-3-4-9-14(21)16-19-15(11-23-2)24-20-16/h6-8,14H,3-5,9-11H2,1-2H3
InChIKeyLPNMDTPGLYVQTR-UHFFFAOYSA-N
XLogP2.68
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 110269475
2-(2-fluorophenyl)-1-[(2S)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345540
2-(2-fluorophenyl)-1-[(2R)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345541
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
(6-methoxy-2-pyridinyl)-[(2R)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 97346113
3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500

Frequently Asked Questions

What is the IUPAC name of [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 75475086) is [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone is COCc1nc(C2CCCCCN2C(=O)c2cccc(C)n2)no1.
What is the InChIKey of [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is LPNMDTPGLYVQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-7-6-8-13(18-12)17(22)21-10-5-3-4-9-14(21)16-19-15(11-23-2)24-20-16/h6-8,14H,3-5,9-11H2,1-2H3.
What are the key properties of [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone?
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 330.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 75475086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).