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

C16H20N2O2 — CID 164630108

IUPAC2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole
SMILESCC[C@H](Oc1ccccc1C)c1nnc(C2CCC2)o1
InChIInChI=1S/C16H20N2O2/c1-3-13(19-14-10-5-4-7-11(14)2)16-18-17-15(20-16)12-8-6-9-12/h4-5,7,10,12-13H,3,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyMUXHPHRQIMGORM-ZDUSSCGKSA-N
MW272.35 g/mol
LogP4.18
Rot. Bonds5

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

2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole (PubChem CID 164630108) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole
PubChem CID164630108
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole
SMILESCC[C@H](Oc1ccccc1C)c1nnc(C2CCC2)o1
InChIInChI=1S/C16H20N2O2/c1-3-13(19-14-10-5-4-7-11(14)2)16-18-17-15(20-16)12-8-6-9-12/h4-5,7,10,12-13H,3,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyMUXHPHRQIMGORM-ZDUSSCGKSA-N
XLogP4.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole (CID 164630108) is 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole is CC[C@H](Oc1ccccc1C)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole?
The InChIKey is MUXHPHRQIMGORM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13(19-14-10-5-4-7-11(14)2)16-18-17-15(20-16)12-8-6-9-12/h4-5,7,10,12-13H,3,6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(1S)-1-(2-methylphenoxy)propyl]-1,3,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 4.18, 5 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-(2-methylphenoxy)propyl]-1,3,4-oxadiazole is sourced from PubChem (CID 164630108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).