ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

C20H15FN4O4S — CID 55503725

IUPACethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C20H15FN4O4S/c1-3-28-19(27)15-9-30-20(23-15)24-17(26)13-8-14(11-4-6-12(21)7-5-11)22-18-16(13)10(2)25-29-18/h4-9H,3H2,1-2H3,(H,23,24,26)
InChIKeyNAHFKILLWWOGIW-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.22
Rot. Bonds5

About ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 55503725) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID55503725
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Nameethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C20H15FN4O4S/c1-3-28-19(27)15-9-30-20(23-15)24-17(26)13-8-14(11-4-6-12(21)7-5-11)22-18-16(13)10(2)25-29-18/h4-9H,3H2,1-2H3,(H,23,24,26)
InChIKeyNAHFKILLWWOGIW-UHFFFAOYSA-N
XLogP4.22
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

6-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55566896
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
6-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42884611
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
[2-(4-methylanilino)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485173
N-[3-(2,2-dimethylpropanoylamino)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55532141
[2-(3,5-dimethylanilino)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484200
[2-[di(propan-2-yl)amino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681871
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682115
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 55503725) is ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1.
What is the InChIKey of ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is NAHFKILLWWOGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-3-28-19(27)15-9-30-20(23-15)24-17(26)13-8-14(11-4-6-12(21)7-5-11)22-18-16(13)10(2)25-29-18/h4-9H,3H2,1-2H3,(H,23,24,26).
What are the key properties of ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 426.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55503725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).