ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate

C7H9NO3 — CID 59316824

IUPACethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate
SMILES[2H]c1oc(C)nc1C(=O)OCC
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3/i4D
InChIKeyJRPMRQTZCURBRG-QYKNYGDISA-N
MW156.16 g/mol
LogP1.16
Rot. Bonds2

About ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 59316824) has the molecular formula C7H9NO3 and a molecular weight of 156.16 g/mol. Its IUPAC name is ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID59316824
Molecular FormulaC7H9NO3
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Nameethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate
SMILES[2H]c1oc(C)nc1C(=O)OCC
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3/i4D
InChIKeyJRPMRQTZCURBRG-QYKNYGDISA-N
XLogP1.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(E)-2-ethoxyethenyl]-1,3-oxazole-4-carboxylate
CID 15128948
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
CID 71289099
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536
ethyl 2-(methyliminomethyl)-1,3-oxazole-4-carboxylate
CID 163648530
ethyl 3,4,6-trideuteriopyridine-2-carboxylate
CID 44514604
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
CID 153446437
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
CID 44516087
ethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 155487640

Frequently Asked Questions

What is the IUPAC name of ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate (CID 59316824) is ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate is [2H]c1oc(C)nc1C(=O)OCC.
What is the InChIKey of ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is JRPMRQTZCURBRG-QYKNYGDISA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3/i4D.
What are the key properties of ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 156.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-deuterio-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 59316824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).