N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H18F2N4O4 — CID 26065308

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C22H18F2N4O4/c1-10-6-14(12(3)31-10)18-8-15(20-11(2)28-32-22(20)27-18)21(30)25-9-19(29)26-13-4-5-16(23)17(24)7-13/h4-8H,9H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyCUDVIOMLYQWTAX-UHFFFAOYSA-N
MW440.41 g/mol
LogP4.05
Rot. Bonds5

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26065308) has the molecular formula C22H18F2N4O4 and a molecular weight of 440.41 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26065308
Molecular FormulaC22H18F2N4O4
Molecular Weight440.41 g/mol
Exact Mass440.13
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C22H18F2N4O4/c1-10-6-14(12(3)31-10)18-8-15(20-11(2)28-32-22(20)27-18)21(30)25-9-19(29)26-13-4-5-16(23)17(24)7-13/h4-8H,9H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyCUDVIOMLYQWTAX-UHFFFAOYSA-N
XLogP4.05
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 26065308) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CUDVIOMLYQWTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O4/c1-10-6-14(12(3)31-10)18-8-15(20-11(2)28-32-22(20)27-18)21(30)25-9-19(29)26-13-4-5-16(23)17(24)7-13/h4-8H,9H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26065308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).