2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

C9H15N3O — CID 131008545

IUPAC2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCN1Cc1nnc(C)o1
InChIInChI=1S/C9H15N3O/c1-3-8-4-5-12(8)6-9-11-10-7(2)13-9/h8H,3-6H2,1-2H3
InChIKeyHPLYSXUGHHWPGD-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.36
Rot. Bonds3

About 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 131008545) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID131008545
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCN1Cc1nnc(C)o1
InChIInChI=1S/C9H15N3O/c1-3-8-4-5-12(8)6-9-11-10-7(2)13-9/h8H,3-6H2,1-2H3
InChIKeyHPLYSXUGHHWPGD-UHFFFAOYSA-N
XLogP1.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371917
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628366
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
2-methyl-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 56792507
2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94447514
2-[[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94424083
2-[(2-ethylpiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 51223519
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (CID 131008545) is 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is CCC1CCN1Cc1nnc(C)o1.
What is the InChIKey of 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is HPLYSXUGHHWPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8-4-5-12(8)6-9-11-10-7(2)13-9/h8H,3-6H2,1-2H3.
What are the key properties of 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 131008545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).