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

C4H6N2O — CID 44887048

IUPACN,N-dideuterio-3-methyl-1,2-oxazol-5-amine
SMILES[2H]N([2H])c1cc(C)no1
InChIInChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3/i/hD2
InChIKeyFNXYWHTZDAVRTB-ZSJDYOACSA-N
MW100.12 g/mol
LogP0.57
Rot. Bonds1

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

N,N-dideuterio-3-methyl-1,2-oxazol-5-amine (PubChem CID 44887048) has the molecular formula C4H6N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N,N-dideuterio-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN,N-dideuterio-3-methyl-1,2-oxazol-5-amine
PubChem CID44887048
Molecular FormulaC4H6N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN,N-dideuterio-3-methyl-1,2-oxazol-5-amine
SMILES[2H]N([2H])c1cc(C)no1
InChIInChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3/i/hD2
InChIKeyFNXYWHTZDAVRTB-ZSJDYOACSA-N
XLogP0.57
TPSA52.05 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-methoxy-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 89339828
3,5-dimethyl-1,2-oxazole;methane
CID 162114046
1-(3-methyl-1,2-oxazol-5-yl)-1-propan-2-ylhydrazine
CID 90078457
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
1-(3-methyl-1,2-oxazol-5-yl)cyclopropan-1-amine
CID 82418469
N-iodo-3-methyl-1,2-oxazol-5-amine
CID 88565628
(1R)-1-(3-methyl-1,2-oxazol-5-yl)ethanol
CID 86316026
trimethyl-[1-(3-methyl-1,2-oxazol-5-yl)ethenoxy]silane
CID 10352685
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine
CID 64549358
1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 62483333

Frequently Asked Questions

What is the IUPAC name of N,N-dideuterio-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of N,N-dideuterio-3-methyl-1,2-oxazol-5-amine (CID 44887048) is N,N-dideuterio-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for N,N-dideuterio-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for N,N-dideuterio-3-methyl-1,2-oxazol-5-amine is [2H]N([2H])c1cc(C)no1.
What is the InChIKey of N,N-dideuterio-3-methyl-1,2-oxazol-5-amine?
The InChIKey is FNXYWHTZDAVRTB-ZSJDYOACSA-N. The full InChI is InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3/i/hD2.
What are the key properties of N,N-dideuterio-3-methyl-1,2-oxazol-5-amine?
N,N-dideuterio-3-methyl-1,2-oxazol-5-amine has a molecular weight of 100.12 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterio-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 44887048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).