4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

C8H13N3O2 — CID 59556428

IUPAC4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc(C2CN(C)CCO2)n1
InChIInChI=1S/C8H13N3O2/c1-6-9-8(13-10-6)7-5-11(2)3-4-12-7/h7H,3-5H2,1-2H3
InChIKeyNKAKVQJFYXVHNX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds1

About 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 59556428) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID59556428
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc(C2CN(C)CCO2)n1
InChIInChI=1S/C8H13N3O2/c1-6-9-8(13-10-6)7-5-11(2)3-4-12-7/h7H,3-5H2,1-2H3
InChIKeyNKAKVQJFYXVHNX-UHFFFAOYSA-N
XLogP0.38
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (CID 59556428) is 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1noc(C2CN(C)CCO2)n1.
What is the InChIKey of 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is NKAKVQJFYXVHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-9-8(13-10-6)7-5-11(2)3-4-12-7/h7H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 183.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 59556428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).