6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H22FN3O2 — CID 166393896

IUPAC6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)c1ccccc1F
InChIInChI=1S/C25H22FN3O2/c1-2-20(17-10-6-7-11-19(17)26)27-24(30)18-14-21(15-12-13-15)28-25-22(18)23(29-31-25)16-8-4-3-5-9-16/h3-11,14-15,20H,2,12-13H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyLICZCDDNVZUVFI-HXUWFJFHSA-N
MW415.47 g/mol
LogP5.79
Rot. Bonds6

About 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166393896) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166393896
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)c1ccccc1F
InChIInChI=1S/C25H22FN3O2/c1-2-20(17-10-6-7-11-19(17)26)27-24(30)18-14-21(15-12-13-15)28-25-22(18)23(29-31-25)16-8-4-3-5-9-16/h3-11,14-15,20H,2,12-13H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyLICZCDDNVZUVFI-HXUWFJFHSA-N
XLogP5.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 166393896) is 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)c1ccccc1F.
What is the InChIKey of 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LICZCDDNVZUVFI-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-2-20(17-10-6-7-11-19(17)26)27-24(30)18-14-21(15-12-13-15)28-25-22(18)23(29-31-25)16-8-4-3-5-9-16/h3-11,14-15,20H,2,12-13H2,1H3,(H,27,30)/t20-/m1/s1.
What are the key properties of 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166393896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).