3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole

C13H20N4O — CID 97204799

IUPAC3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@H](C)n2ccnc2C(C)C)n1
InChIInChI=1S/C13H20N4O/c1-8(2)11-15-13(18-16-11)10(5)17-7-6-14-12(17)9(3)4/h6-10H,1-5H3/t10-/m0/s1
InChIKeyNPZQPUMDDKKYQZ-JTQLQIEISA-N
MW248.33 g/mol
LogP3.12
Rot. Bonds4

About 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole

3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 97204799) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID97204799
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@H](C)n2ccnc2C(C)C)n1
InChIInChI=1S/C13H20N4O/c1-8(2)11-15-13(18-16-11)10(5)17-7-6-14-12(17)9(3)4/h6-10H,1-5H3/t10-/m0/s1
InChIKeyNPZQPUMDDKKYQZ-JTQLQIEISA-N
XLogP3.12
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-methylpropyl)-3-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 95119456
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 95140403
(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95902876
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
5-[(1S)-1-[(R)-(2-methylfuran-3-yl)sulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124621499
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 170755918

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole (CID 97204799) is 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole is CC(C)c1noc([C@H](C)n2ccnc2C(C)C)n1.
What is the InChIKey of 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is NPZQPUMDDKKYQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O/c1-8(2)11-15-13(18-16-11)10(5)17-7-6-14-12(17)9(3)4/h6-10H,1-5H3/t10-/m0/s1.
What are the key properties of 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 248.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97204799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).