2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole

C4H7NO — CID 101358673

IUPAC2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole
SMILES[2H]C([2H])([2H])C1=NCCO1
InChIInChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3/i1D3
InChIKeyGUXJXWKCUUWCLX-FIBGUPNXSA-N
MW88.12 g/mol
LogP0.44
Rot. Bonds1

About 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole

2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 101358673) has the molecular formula C4H7NO and a molecular weight of 88.12 g/mol. Its IUPAC name is 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole
PubChem CID101358673
Molecular FormulaC4H7NO
Molecular Weight88.12 g/mol
Exact Mass88.07
IUPAC Name2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole
SMILES[2H]C([2H])([2H])C1=NCCO1
InChIInChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3/i1D3
InChIKeyGUXJXWKCUUWCLX-FIBGUPNXSA-N
XLogP0.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.12
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 91154236
1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine
CID 141418680
N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 12074351
2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol
CID 155932319
bis(4,5-dihydro-1,3-oxazol-2-yl)diazene
CID 70272991
2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 20538722
2-(fluoromethyl)-4,5-dihydro-1,3-oxazole
CID 172771134
N-methyl-N-propan-2-yl-4,5-dihydro-1,3-oxazol-2-amine
CID 156747941
1-(4,5-dihydro-1,3-oxazol-2-yl)-N-methylmethanamine
CID 84647709
N-propyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523834
sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
CID 176894154
2-(3-ethylhex-5-en-3-yl)-4,5-dihydro-1,3-oxazole
CID 130343667

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole (CID 101358673) is 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole is [2H]C([2H])([2H])C1=NCCO1.
What is the InChIKey of 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GUXJXWKCUUWCLX-FIBGUPNXSA-N. The full InChI is InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3/i1D3.
What are the key properties of 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole?
2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 88.12 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101358673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).