4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine

C5H8N2O — CID 167483538

IUPAC4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine
SMILES[2H]Cc1c(N)noc1C
InChIInChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)/i1D
InChIKeyVPANVNSDJSUFEF-MICDWDOJSA-N
MW113.14 g/mol
LogP0.87
Rot. Bonds1

About 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine

4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 167483538) has the molecular formula C5H8N2O and a molecular weight of 113.14 g/mol. Its IUPAC name is 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID167483538
Molecular FormulaC5H8N2O
Molecular Weight113.14 g/mol
Exact Mass113.07
IUPAC Name4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine
SMILES[2H]Cc1c(N)noc1C
InChIInChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)/i1D
InChIKeyVPANVNSDJSUFEF-MICDWDOJSA-N
XLogP0.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine (CID 167483538) is 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine is [2H]Cc1c(N)noc1C.
What is the InChIKey of 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is VPANVNSDJSUFEF-MICDWDOJSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)/i1D.
What are the key properties of 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine?
4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 113.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(deuteriomethyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 167483538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).