[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine

C8H13N3O2 — CID 62907456

IUPAC[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(C2CCOCC2)n1
InChIInChI=1S/C8H13N3O2/c9-5-7-10-8(13-11-7)6-1-3-12-4-2-6/h6H,1-5,9H2
InChIKeyQAPMDBPDNSNKJM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.42
Rot. Bonds2

About [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 62907456) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID62907456
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(C2CCOCC2)n1
InChIInChI=1S/C8H13N3O2/c9-5-7-10-8(13-11-7)6-1-3-12-4-2-6/h6H,1-5,9H2
InChIKeyQAPMDBPDNSNKJM-UHFFFAOYSA-N
XLogP0.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-oxadiazole, 3-(3-pyrrolidinylmethyl)-5-(tetrahydro-2H-pyran-4-yl)-
CID 86820422
3-(Chloromethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 50988922
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
[5-(Oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride
CID 137965907
4-[3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine hydrochloride
CID 138039477
[3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride
CID 154878961
2-(3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 165900121
1-(3-{[5-(Oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidin-1-YL)propan-1-one
CID 110196108
1-(3-{[5-(Oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidin-1-YL)ethan-1-one
CID 110196109
N-Methyl-3-{[5-(oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidine-1-carboxamide
CID 110196110
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126449165

Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 62907456) is [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(C2CCOCC2)n1.
What is the InChIKey of [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is QAPMDBPDNSNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-5-7-10-8(13-11-7)6-1-3-12-4-2-6/h6H,1-5,9H2.
What are the key properties of [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 183.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 62907456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).