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

C25H22N4O3 — CID 55721721

IUPACN-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)c1
InChIInChI=1S/C25H22N4O3/c1-15(30)27-19-9-5-6-16(12-19)14-26-24(31)20-13-21(17-10-11-17)28-25-22(20)23(29-32-25)18-7-3-2-4-8-18/h2-9,12-13,17H,10-11,14H2,1H3,(H,26,31)(H,27,30)
InChIKeyXSDRCZOOXXFZEV-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.66
Rot. Bonds6

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

N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55721721) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55721721
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)c1
InChIInChI=1S/C25H22N4O3/c1-15(30)27-19-9-5-6-16(12-19)14-26-24(31)20-13-21(17-10-11-17)28-25-22(20)23(29-32-25)18-7-3-2-4-8-18/h2-9,12-13,17H,10-11,14H2,1H3,(H,26,31)(H,27,30)
InChIKeyXSDRCZOOXXFZEV-UHFFFAOYSA-N
XLogP4.66
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719913
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
6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718526
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315355
6-cyclopropyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 167855430
6-cyclopropyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718327
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-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55756409
6-cyclopropyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55720620

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55721721) is N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XSDRCZOOXXFZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-15(30)27-19-9-5-6-16(12-19)14-26-24(31)20-13-21(17-10-11-17)28-25-22(20)23(29-32-25)18-7-3-2-4-8-18/h2-9,12-13,17H,10-11,14H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55721721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).