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

C6H11N3O2 — CID 45096041

IUPACO-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
SMILESCC(C)c1nnc(CON)o1
InChIInChI=1S/C6H11N3O2/c1-4(2)6-9-8-5(11-6)3-10-7/h4H,3,7H2,1-2H3
InChIKeyFCRLLQZOHKDZOE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.58
Rot. Bonds3

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

O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine (PubChem CID 45096041) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
PubChem CID45096041
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC NameO-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
SMILESCC(C)c1nnc(CON)o1
InChIInChI=1S/C6H11N3O2/c1-4(2)6-9-8-5(11-6)3-10-7/h4H,3,7H2,1-2H3
InChIKeyFCRLLQZOHKDZOE-UHFFFAOYSA-N
XLogP0.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine (CID 45096041) is O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine is CC(C)c1nnc(CON)o1.
What is the InChIKey of O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine?
The InChIKey is FCRLLQZOHKDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4(2)6-9-8-5(11-6)3-10-7/h4H,3,7H2,1-2H3.
What are the key properties of O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine?
O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine has a molecular weight of 157.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 45096041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).