N,5-dideuterio-N-methyl-1,3-oxazol-2-amine

C4H6N2O — CID 58819925

IUPACN,5-dideuterio-N-methyl-1,3-oxazol-2-amine
SMILES[2H]c1cnc(N([2H])C)o1
InChIInChI=1S/C4H6N2O/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H,5,6)/i3D/hD
InChIKeyYWXMEOHQQJWIOZ-AMVILDFXSA-N
MW100.12 g/mol
LogP0.72
Rot. Bonds1

About N,5-dideuterio-N-methyl-1,3-oxazol-2-amine

N,5-dideuterio-N-methyl-1,3-oxazol-2-amine (PubChem CID 58819925) has the molecular formula C4H6N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N,5-dideuterio-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,5-dideuterio-N-methyl-1,3-oxazol-2-amine
PubChem CID58819925
Molecular FormulaC4H6N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN,5-dideuterio-N-methyl-1,3-oxazol-2-amine
SMILES[2H]c1cnc(N([2H])C)o1
InChIInChI=1S/C4H6N2O/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H,5,6)/i3D/hD
InChIKeyYWXMEOHQQJWIOZ-AMVILDFXSA-N
XLogP0.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dideuterio-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of N,5-dideuterio-N-methyl-1,3-oxazol-2-amine (CID 58819925) is N,5-dideuterio-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for N,5-dideuterio-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for N,5-dideuterio-N-methyl-1,3-oxazol-2-amine is [2H]c1cnc(N([2H])C)o1.
What is the InChIKey of N,5-dideuterio-N-methyl-1,3-oxazol-2-amine?
The InChIKey is YWXMEOHQQJWIOZ-AMVILDFXSA-N. The full InChI is InChI=1S/C4H6N2O/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H,5,6)/i3D/hD.
What are the key properties of N,5-dideuterio-N-methyl-1,3-oxazol-2-amine?
N,5-dideuterio-N-methyl-1,3-oxazol-2-amine has a molecular weight of 100.12 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dideuterio-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 58819925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).