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

C21H17N3O3 — CID 55719913

IUPAC6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C21H17N3O3/c25-20(22-12-15-7-4-10-26-15)16-11-17(13-8-9-13)23-21-18(16)19(24-27-21)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,22,25)
InChIKeyJNQBJISYNQLVJG-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.29
Rot. Bonds5

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

6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55719913) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55719913
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C21H17N3O3/c25-20(22-12-15-7-4-10-26-15)16-11-17(13-8-9-13)23-21-18(16)19(24-27-21)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,22,25)
InChIKeyJNQBJISYNQLVJG-UHFFFAOYSA-N
XLogP4.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17393292
6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719194
6-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719868
N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55721721
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-(furan-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315319
6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718526
6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393903
6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315355
6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55720620
methyl (2S)-2-[(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylacetate
CID 167915655
6-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393896

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55719913) is 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1ccco1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JNQBJISYNQLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-20(22-12-15-7-4-10-26-15)16-11-17(13-8-9-13)23-21-18(16)19(24-27-21)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,22,25).
What are the key properties of 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55719913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).