3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole

C15H25N3O2 — CID 97345782

IUPAC3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc([C@@H]3CCCCCN3)no2)CCC1
InChIInChI=1S/C15H25N3O2/c1-19-11-9-15(7-5-8-15)14-17-13(18-20-14)12-6-3-2-4-10-16-12/h12,16H,2-11H2,1H3/t12-/m0/s1
InChIKeyUYTCVQAPYIZNNO-LBPRGKRZSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds5

About 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole

3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole (PubChem CID 97345782) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
PubChem CID97345782
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc([C@@H]3CCCCCN3)no2)CCC1
InChIInChI=1S/C15H25N3O2/c1-19-11-9-15(7-5-8-15)14-17-13(18-20-14)12-6-3-2-4-10-16-12/h12,16H,2-11H2,1H3/t12-/m0/s1
InChIKeyUYTCVQAPYIZNNO-LBPRGKRZSA-N
XLogP2.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
1-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
CID 97345799
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole (CID 97345782) is 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole is COCCC1(c2nc([C@@H]3CCCCCN3)no2)CCC1.
What is the InChIKey of 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
The InChIKey is UYTCVQAPYIZNNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-11-9-15(7-5-8-15)14-17-13(18-20-14)12-6-3-2-4-10-16-12/h12,16H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole has a molecular weight of 279.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azepan-2-yl]-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97345782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).