5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C9H14N2O2 — CID 130666816

IUPAC5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc([C@H]2CC2(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-9(2)4-6(9)8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyHVXLKVIWPJWLEF-ZCFIWIBFSA-N
MW182.22 g/mol
LogP1.73
Rot. Bonds3

About 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 130666816) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID130666816
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc([C@H]2CC2(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-9(2)4-6(9)8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyHVXLKVIWPJWLEF-ZCFIWIBFSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
CID 102629529
3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104880039
5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole
CID 131132193
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 125427036
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
5-[(4Z)-cyclooct-4-en-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167847157
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 80565173
1-[(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 110203181
ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107002989
3-(1-chloroethyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002021

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 130666816) is 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc([C@H]2CC2(C)C)n1.
What is the InChIKey of 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is HVXLKVIWPJWLEF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2)4-6(9)8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).