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

C22H16FN3O2 — CID 171315355

IUPAC6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C22H16FN3O2/c23-16-8-4-5-9-17(16)24-21(27)15-12-18(13-10-11-13)25-22-19(15)20(26-28-22)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,24,27)
InChIKeyWPNCFNWRVVRRFU-UHFFFAOYSA-N
MW373.39 g/mol
LogP5.16
Rot. Bonds4

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

6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315355) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315355
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C22H16FN3O2/c23-16-8-4-5-9-17(16)24-21(27)15-12-18(13-10-11-13)25-22-19(15)20(26-28-22)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,24,27)
InChIKeyWPNCFNWRVVRRFU-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393896
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55777328
6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718404
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55908456
6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393903
6-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719868
N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315198
6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719913
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56501689
methyl (2S)-2-[(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylacetate
CID 167915655
N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55721721

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315355) is 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WPNCFNWRVVRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-16-8-4-5-9-17(16)24-21(27)15-12-18(13-10-11-13)25-22-19(15)20(26-28-22)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,24,27).
What are the key properties of 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).