5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

C14H19N5O — CID 70709448

IUPAC5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CCCCCN3C)n2)nn1
InChIInChI=1S/C14H19N5O/c1-10-7-8-11(17-16-10)13-15-14(20-18-13)12-6-4-3-5-9-19(12)2/h7-8,12H,3-6,9H2,1-2H3
InChIKeyOTUIFIHGJKPTMM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.38
Rot. Bonds2

About 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 70709448) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID70709448
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CCCCCN3C)n2)nn1
InChIInChI=1S/C14H19N5O/c1-10-7-8-11(17-16-10)13-15-14(20-18-13)12-6-4-3-5-9-19(12)2/h7-8,12H,3-6,9H2,1-2H3
InChIKeyOTUIFIHGJKPTMM-UHFFFAOYSA-N
XLogP2.38
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone
CID 119062267
3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
CID 72847122
(5S)-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97147233
5-(1-methylpyrrolidin-2-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
CID 71060918
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 86802363
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
3-(1-methylpiperidin-2-yl)-1,2-oxazol-5-amine
CID 115015914
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
3-(6-butoxynaphthalen-2-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 145056901
5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72882387

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 70709448) is 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C3CCCCCN3C)n2)nn1.
What is the InChIKey of 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is OTUIFIHGJKPTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-7-8-11(17-16-10)13-15-14(20-18-13)12-6-4-3-5-9-19(12)2/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70709448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).