3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine

C8H13N3O3 — CID 75451128

IUPAC3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCOCc1nc(C2COCCN2)no1
InChIInChI=1S/C8H13N3O3/c1-12-5-7-10-8(11-14-7)6-4-13-3-2-9-6/h6,9H,2-5H2,1H3
InChIKeyNJWNVVRSMMKEBY-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.12
Rot. Bonds3

About 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 75451128) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID75451128
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCOCc1nc(C2COCCN2)no1
InChIInChI=1S/C8H13N3O3/c1-12-5-7-10-8(11-14-7)6-4-13-3-2-9-6/h6,9H,2-5H2,1H3
InChIKeyNJWNVVRSMMKEBY-UHFFFAOYSA-N
XLogP-0.12
TPSA69.41 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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 75451128) is 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine is COCc1nc(C2COCCN2)no1.
What is the InChIKey of 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is NJWNVVRSMMKEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-12-5-7-10-8(11-14-7)6-4-13-3-2-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 199.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 75451128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).