N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H16FN3O2S — CID 24596980

IUPACN-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2cccs2)nc2onc(C)c12)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2S/c1-3-24(14-8-6-13(21)7-9-14)20(25)15-11-16(17-5-4-10-27-17)22-19-18(15)12(2)23-26-19/h4-11H,3H2,1-2H3
InChIKeyMZJSFVKAWMMQPY-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.07
Rot. Bonds4

About N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24596980) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24596980
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2cccs2)nc2onc(C)c12)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2S/c1-3-24(14-8-6-13(21)7-9-14)20(25)15-11-16(17-5-4-10-27-17)22-19-18(15)12(2)23-26-19/h4-11H,3H2,1-2H3
InChIKeyMZJSFVKAWMMQPY-UHFFFAOYSA-N
XLogP5.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24596980) is N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(C(=O)c1cc(-c2cccs2)nc2onc(C)c12)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MZJSFVKAWMMQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-3-24(14-8-6-13(21)7-9-14)20(25)15-11-16(17-5-4-10-27-17)22-19-18(15)12(2)23-26-19/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24596980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).