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

C8H13N3O2 — CID 115292521

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCc1noc(C2(N)CCOCC2)n1
InChIInChI=1S/C8H13N3O2/c1-6-10-7(13-11-6)8(9)2-4-12-5-3-8/h2-5,9H2,1H3
InChIKeyNIJJMSACCJQVHY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds1

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (PubChem CID 115292521) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
PubChem CID115292521
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCc1noc(C2(N)CCOCC2)n1
InChIInChI=1S/C8H13N3O2/c1-6-10-7(13-11-6)8(9)2-4-12-5-3-8/h2-5,9H2,1H3
InChIKeyNIJJMSACCJQVHY-UHFFFAOYSA-N
XLogP0.34
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (CID 115292521) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is Cc1noc(C2(N)CCOCC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The InChIKey is NIJJMSACCJQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-10-7(13-11-6)8(9)2-4-12-5-3-8/h2-5,9H2,1H3.
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine has a molecular weight of 183.21 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is sourced from PubChem (CID 115292521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).