(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C8H13N3O3 — CID 125427036

IUPAC(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCOCc1noc([C@H]2OCC[C@H]2N)n1
InChIInChI=1S/C8H13N3O3/c1-12-4-6-10-8(14-11-6)7-5(9)2-3-13-7/h5,7H,2-4,9H2,1H3/t5-,7+/m1/s1
InChIKeyQXFXVHXYMMKOLJ-VDTYLAMSSA-N
MW199.21 g/mol
LogP0.00
Rot. Bonds3

About (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 125427036) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID125427036
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCOCc1noc([C@H]2OCC[C@H]2N)n1
InChIInChI=1S/C8H13N3O3/c1-12-4-6-10-8(14-11-6)7-5(9)2-3-13-7/h5,7H,2-4,9H2,1H3/t5-,7+/m1/s1
InChIKeyQXFXVHXYMMKOLJ-VDTYLAMSSA-N
XLogP0.00
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
CID 102629529
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 131631949
5-[(1S)-2,2-dimethylcyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 130666816
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
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 80565173
3-[(4-methoxyphenyl)methyl]-5-[(2S,3S)-3-phenyloxolan-2-yl]-1,2,4-oxadiazole
CID 128994621
5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 128995217
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201156
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine
CID 124829754

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 125427036) is (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is COCc1noc([C@H]2OCC[C@H]2N)n1.
What is the InChIKey of (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is QXFXVHXYMMKOLJ-VDTYLAMSSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-12-4-6-10-8(14-11-6)7-5(9)2-3-13-7/h5,7H,2-4,9H2,1H3/t5-,7+/m1/s1.
What are the key properties of (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
(2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 199.21 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 125427036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).