2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole

C10H14N2O — CID 130621431

IUPAC2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1CC1c1nnc(C2CCC2)o1
InChIInChI=1S/C10H14N2O/c1-6-5-8(6)10-12-11-9(13-10)7-3-2-4-7/h6-8H,2-5H2,1H3
InChIKeyYANPNQVVAOHCIY-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.46
Rot. Bonds2

About 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole

2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 130621431) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
PubChem CID130621431
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1CC1c1nnc(C2CCC2)o1
InChIInChI=1S/C10H14N2O/c1-6-5-8(6)10-12-11-9(13-10)7-3-2-4-7/h6-8H,2-5H2,1H3
InChIKeyYANPNQVVAOHCIY-UHFFFAOYSA-N
XLogP2.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-methylcyclopentyl)-1,3,4-oxadiazole
CID 107186575
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 126996164
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 119031517
2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
CID 131201326
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;propane
CID 153404775
5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 83875168
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
CID 162633683

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole (CID 130621431) is 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole is CC1CC1c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is YANPNQVVAOHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-5-8(6)10-12-11-9(13-10)7-3-2-4-7/h6-8H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 178.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130621431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).