O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine

C6H12N4O2 — CID 116808238

IUPACO-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESCCN(C)c1noc(CON)n1
InChIInChI=1S/C6H12N4O2/c1-3-10(2)6-8-5(4-11-7)12-9-6/h3-4,7H2,1-2H3
InChIKeyDUGVLSZAKAWCKH-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.08
Rot. Bonds4

About O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine

O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (PubChem CID 116808238) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
PubChem CID116808238
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC NameO-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
SMILESCCN(C)c1noc(CON)n1
InChIInChI=1S/C6H12N4O2/c1-3-10(2)6-8-5(4-11-7)12-9-6/h3-4,7H2,1-2H3
InChIKeyDUGVLSZAKAWCKH-UHFFFAOYSA-N
XLogP-0.08
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116808870
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116809022
N-ethyl-N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-amine
CID 116808396
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809384
5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808252
5-(1-aminocyclopentyl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808295
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579

Frequently Asked Questions

What is the IUPAC name of O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The IUPAC name of O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine (CID 116808238) is O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is CCN(C)c1noc(CON)n1.
What is the InChIKey of O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
The InChIKey is DUGVLSZAKAWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-3-10(2)6-8-5(4-11-7)12-9-6/h3-4,7H2,1-2H3.
What are the key properties of O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine?
O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine has a molecular weight of 172.19 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine is sourced from PubChem (CID 116808238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).