3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C9H15N3O3 — CID 64888065

IUPAC3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCOCCc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C9H15N3O3/c1-13-4-2-7-11-8(15-12-7)9(10)3-5-14-6-9/h2-6,10H2,1H3
InChIKeyMSYAHMGFIQIGDU-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.17
Rot. Bonds4

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

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 64888065) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID64888065
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCOCCc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C9H15N3O3/c1-13-4-2-7-11-8(15-12-7)9(10)3-5-14-6-9/h2-6,10H2,1H3
InChIKeyMSYAHMGFIQIGDU-UHFFFAOYSA-N
XLogP-0.17
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
CID 75420782
4-(3-Methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine hydrochloride
CID 137832736
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine hydrochloride
CID 137832747
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64887875
1,1,1-Trifluoro-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797899
3-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 79953537
3-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007701
3-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103146146
2-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146209
3-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103146445
3-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103472516
3-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103472952

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 64888065) is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is COCCc1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is MSYAHMGFIQIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-13-4-2-7-11-8(15-12-7)9(10)3-5-14-6-9/h2-6,10H2,1H3.
What are the key properties of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 213.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 64888065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).