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

C24H21F2N5O3 — CID 24597942

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H21F2N5O3/c1-11-9-15(14(4)33-11)18-10-16(20-12(2)30-34-23(20)29-18)22(32)27-13(3)21-28-17-7-5-6-8-19(17)31(21)24(25)26/h5-10,13,24H,1-4H3,(H,27,32)
InChIKeyKXHJCFYYDUOCPW-UHFFFAOYSA-N
MW465.46 g/mol
LogP5.64
Rot. Bonds5

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

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24597942) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24597942
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H21F2N5O3/c1-11-9-15(14(4)33-11)18-10-16(20-12(2)30-34-23(20)29-18)22(32)27-13(3)21-28-17-7-5-6-8-19(17)31(21)24(25)26/h5-10,13,24H,1-4H3,(H,27,32)
InChIKeyKXHJCFYYDUOCPW-UHFFFAOYSA-N
XLogP5.64
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.46
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24597942) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KXHJCFYYDUOCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-11-9-15(14(4)33-11)18-10-16(20-12(2)30-34-23(20)29-18)22(32)27-13(3)21-28-17-7-5-6-8-19(17)31(21)24(25)26/h5-10,13,24H,1-4H3,(H,27,32).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24597942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).