2-deuterio-5-methyl-1,3-oxazole

C4H5NO — CID 59374790

IUPAC2-deuterio-5-methyl-1,3-oxazole
SMILES[2H]c1ncc(C)o1
InChIInChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3/i3D
InChIKeyZYMHCFYHVYGFMS-WFVSFCRTSA-N
MW84.10 g/mol
LogP0.98
Rot. Bonds

About 2-deuterio-5-methyl-1,3-oxazole

2-deuterio-5-methyl-1,3-oxazole (PubChem CID 59374790) has the molecular formula C4H5NO and a molecular weight of 84.10 g/mol. Its IUPAC name is 2-deuterio-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-deuterio-5-methyl-1,3-oxazole
PubChem CID59374790
Molecular FormulaC4H5NO
Molecular Weight84.10 g/mol
Exact Mass84.04
IUPAC Name2-deuterio-5-methyl-1,3-oxazole
SMILES[2H]c1ncc(C)o1
InChIInChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3/i3D
InChIKeyZYMHCFYHVYGFMS-WFVSFCRTSA-N
XLogP0.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.10
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyloxazole
CID 89961
2-Ethyl-5-methyloxazole
CID 528403
5-Methyl-2-propyloxazole
CID 529034
5-(Bromomethyl)oxazole
CID 11665457
5-(1-Methylethyl)oxazole
CID 12214112
5-Ethyl-1,3-oxazole
CID 12214113
5-(Chloromethyl)-1,3-oxazole
CID 15290880
5-Ethynyloxazole
CID 17875436
5-(Trifluoromethyl)-1,3-oxazole
CID 54409704
Oxazol-5-ylmethanamine
CID 23404337
5-Methyloxazole
CID 528411
(1,3-Oxazol-5-yl)methanamine dihydrochloride
CID 71811106

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-5-methyl-1,3-oxazole?
The IUPAC name of 2-deuterio-5-methyl-1,3-oxazole (CID 59374790) is 2-deuterio-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-deuterio-5-methyl-1,3-oxazole?
The canonical SMILES for 2-deuterio-5-methyl-1,3-oxazole is [2H]c1ncc(C)o1.
What is the InChIKey of 2-deuterio-5-methyl-1,3-oxazole?
The InChIKey is ZYMHCFYHVYGFMS-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3/i3D.
What are the key properties of 2-deuterio-5-methyl-1,3-oxazole?
2-deuterio-5-methyl-1,3-oxazole has a molecular weight of 84.10 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-5-methyl-1,3-oxazole is sourced from PubChem (CID 59374790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).