N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H16FN5O2 — CID 52688468

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c12
InChIInChI=1S/C23H16FN5O2/c1-14-21-17(12-19(27-23(21)31-28-14)15-5-3-2-4-6-15)22(30)26-16-7-8-20(18(24)11-16)29-10-9-25-13-29/h2-13H,1H3,(H,26,30)
InChIKeyDJVDSYIMCGVGRT-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.78
Rot. Bonds4

About N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52688468) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52688468
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c12
InChIInChI=1S/C23H16FN5O2/c1-14-21-17(12-19(27-23(21)31-28-14)15-5-3-2-4-6-15)22(30)26-16-7-8-20(18(24)11-16)29-10-9-25-13-29/h2-13H,1H3,(H,26,30)
InChIKeyDJVDSYIMCGVGRT-UHFFFAOYSA-N
XLogP4.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24657821
N-(3-fluoro-4-pyrazol-1-ylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55820141
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42475011
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118381
3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30884891
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
3-methyl-6-phenyl-N-[4-(sulfamoylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55553192
3-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55797229
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
N-[3-(2,2-dimethylpropanoylamino)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55532141
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43069822
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 52688468) is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)c12.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DJVDSYIMCGVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c1-14-21-17(12-19(27-23(21)31-28-14)15-5-3-2-4-6-15)22(30)26-16-7-8-20(18(24)11-16)29-10-9-25-13-29/h2-13H,1H3,(H,26,30).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52688468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).