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

C6H10N2O — CID 13317380

IUPAC4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine
SMILES[2H]C([2H])(C)c1c(C)noc1N
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)8-9-6(5)7/h3,7H2,1-2H3/i3D2
InChIKeyJBQKXIAKMNHYEI-SMZGMGDZSA-N
MW128.17 g/mol
LogP1.13
Rot. Bonds1

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

4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine (PubChem CID 13317380) has the molecular formula C6H10N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine
PubChem CID13317380
Molecular FormulaC6H10N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine
SMILES[2H]C([2H])(C)c1c(C)noc1N
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)8-9-6(5)7/h3,7H2,1-2H3/i3D2
InChIKeyJBQKXIAKMNHYEI-SMZGMGDZSA-N
XLogP1.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
CID 82502400
3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
CID 12603867
(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium
CID 143383514
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 43671006
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
4-ethyl-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922020
4-ethyl-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 43670965
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 105473442

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine (CID 13317380) is 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine is [2H]C([2H])(C)c1c(C)noc1N.
What is the InChIKey of 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine?
The InChIKey is JBQKXIAKMNHYEI-SMZGMGDZSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4(2)8-9-6(5)7/h3,7H2,1-2H3/i3D2.
What are the key properties of 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine?
4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine has a molecular weight of 128.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 13317380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).