3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole

C11H18N2O — CID 58051730

IUPAC3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8/h7-8H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyYQLRAGCXJDXSDR-SSDOTTSWSA-N
MW194.28 g/mol
LogP3.10
Rot. Bonds2

About 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole (PubChem CID 58051730) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
PubChem CID58051730
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8/h7-8H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyYQLRAGCXJDXSDR-SSDOTTSWSA-N
XLogP3.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65415677
4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65402610

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole (CID 58051730) is 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole is C[C@H](c1nc(C2CC2)no1)C(C)(C)C.
What is the InChIKey of 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole?
The InChIKey is YQLRAGCXJDXSDR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8/h7-8H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole has a molecular weight of 194.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 58051730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).