ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate

C13H13FN2O3 — CID 134588302

IUPACethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)nc2)noc1CF
InChIInChI=1S/C13H13FN2O3/c1-3-18-13(17)11-10(6-14)19-16-12(11)9-5-4-8(2)15-7-9/h4-5,7H,3,6H2,1-2H3
InChIKeyJRWCGXUZQYHHEY-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.69
Rot. Bonds4

About ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate

ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate (PubChem CID 134588302) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate
PubChem CID134588302
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Nameethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)nc2)noc1CF
InChIInChI=1S/C13H13FN2O3/c1-3-18-13(17)11-10(6-14)19-16-12(11)9-5-4-8(2)15-7-9/h4-5,7H,3,6H2,1-2H3
InChIKeyJRWCGXUZQYHHEY-UHFFFAOYSA-N
XLogP2.69
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxylate
CID 134588386
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate
CID 59145411
ethyl 5-methyl-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
CID 139529969
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 113457320
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate (CID 134588302) is ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(C)nc2)noc1CF.
What is the InChIKey of ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate?
The InChIKey is JRWCGXUZQYHHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-3-18-13(17)11-10(6-14)19-16-12(11)9-5-4-8(2)15-7-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate?
ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 134588302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).