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

C9H14N2O2 — CID 131201326

IUPAC2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
SMILESCO[C@@H](C)c1nnc(C2CCC2)o1
InChIInChI=1S/C9H14N2O2/c1-6(12-2)8-10-11-9(13-8)7-4-3-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHPJNHPNJIGJHLE-LURJTMIESA-N
MW182.22 g/mol
LogP2.04
Rot. Bonds3

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

2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole (PubChem CID 131201326) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
PubChem CID131201326
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
SMILESCO[C@@H](C)c1nnc(C2CCC2)o1
InChIInChI=1S/C9H14N2O2/c1-6(12-2)8-10-11-9(13-8)7-4-3-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHPJNHPNJIGJHLE-LURJTMIESA-N
XLogP2.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
CID 118608842
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole;ethane
CID 153404817
2-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]isoindole-1,3-dione
CID 118608761
2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole
CID 126996136
2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 62856349
N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63014214
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
2-(difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
CID 153456384
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
tert-butyl N-[3-[5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
CID 140804576
5-[(1S,3S)-3-methoxycyclohexyl]-1,3,4-oxadiazol-2-amine
CID 125427182

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole (CID 131201326) is 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole is CO[C@@H](C)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole?
The InChIKey is HPJNHPNJIGJHLE-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12-2)8-10-11-9(13-8)7-4-3-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 131201326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).