N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine

C5H8N2O3 — CID 134578846

IUPACN,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine
SMILESCc1noc(C)c1N(O)O
InChIInChI=1S/C5H8N2O3/c1-3-5(7(8)9)4(2)10-6-3/h8-9H,1-2H3
InChIKeyNLBFXRQMKWEFRG-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.88
Rot. Bonds1

About N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine

N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine (PubChem CID 134578846) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine
PubChem CID134578846
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC NameN,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine
SMILESCc1noc(C)c1N(O)O
InChIInChI=1S/C5H8N2O3/c1-3-5(7(8)9)4(2)10-6-3/h8-9H,1-2H3
InChIKeyNLBFXRQMKWEFRG-UHFFFAOYSA-N
XLogP0.88
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.88
H-Bond Donors ≤ 52
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 N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine?
The IUPAC name of N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine (CID 134578846) is N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine.
What is the SMILES notation for N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine?
The canonical SMILES for N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine is Cc1noc(C)c1N(O)O.
What is the InChIKey of N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine?
The InChIKey is NLBFXRQMKWEFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3-5(7(8)9)4(2)10-6-3/h8-9H,1-2H3.
What are the key properties of N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine?
N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine has a molecular weight of 144.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-3,5-dimethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 134578846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).