4-deuterio-3,5-dimethyl-1,2-oxazole

C5H7NO — CID 134908679

IUPAC4-deuterio-3,5-dimethyl-1,2-oxazole
SMILES[2H]c1c(C)noc1C
InChIInChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3/i3D
InChIKeyFICAQKBMCKEFDI-WFVSFCRTSA-N
MW98.12 g/mol
LogP1.29
Rot. Bonds

About 4-deuterio-3,5-dimethyl-1,2-oxazole

4-deuterio-3,5-dimethyl-1,2-oxazole (PubChem CID 134908679) has the molecular formula C5H7NO and a molecular weight of 98.12 g/mol. Its IUPAC name is 4-deuterio-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-deuterio-3,5-dimethyl-1,2-oxazole
PubChem CID134908679
Molecular FormulaC5H7NO
Molecular Weight98.12 g/mol
Exact Mass98.06
IUPAC Name4-deuterio-3,5-dimethyl-1,2-oxazole
SMILES[2H]c1c(C)noc1C
InChIInChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3/i3D
InChIKeyFICAQKBMCKEFDI-WFVSFCRTSA-N
XLogP1.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-deuterio-3,5-dimethyl-1,2-oxazole (CID 134908679) is 4-deuterio-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-deuterio-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-deuterio-3,5-dimethyl-1,2-oxazole is [2H]c1c(C)noc1C.
What is the InChIKey of 4-deuterio-3,5-dimethyl-1,2-oxazole?
The InChIKey is FICAQKBMCKEFDI-WFVSFCRTSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3/i3D.
What are the key properties of 4-deuterio-3,5-dimethyl-1,2-oxazole?
4-deuterio-3,5-dimethyl-1,2-oxazole has a molecular weight of 98.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134908679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).