[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone

C15H20N6O2 — CID 138382153

IUPAC[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCc1nc(N2CCCN(C(=O)c3cnc(C)cn3)CC2)no1
InChIInChI=1S/C15H20N6O2/c1-3-13-18-15(19-23-13)21-6-4-5-20(7-8-21)14(22)12-10-16-11(2)9-17-12/h9-10H,3-8H2,1-2H3
InChIKeyGQIIGJJKICQNRC-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.08
Rot. Bonds3

About [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 138382153) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID138382153
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCc1nc(N2CCCN(C(=O)c3cnc(C)cn3)CC2)no1
InChIInChI=1S/C15H20N6O2/c1-3-13-18-15(19-23-13)21-6-4-5-20(7-8-21)14(22)12-10-16-11(2)9-17-12/h9-10H,3-8H2,1-2H3
InChIKeyGQIIGJJKICQNRC-UHFFFAOYSA-N
XLogP1.08
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344221
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-propyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 138378429
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 138379026
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
(5-hydroxy-2-methylphenyl)-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134709944
(5-methylpyrazin-2-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 138378634

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 138382153) is [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone is CCc1nc(N2CCCN(C(=O)c3cnc(C)cn3)CC2)no1.
What is the InChIKey of [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is GQIIGJJKICQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-13-18-15(19-23-13)21-6-4-5-20(7-8-21)14(22)12-10-16-11(2)9-17-12/h9-10H,3-8H2,1-2H3.
What are the key properties of [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 316.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 138382153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).