3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C20H19N5O2 — CID 86965039

IUPAC3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NCc3cccc(-n4cccn4)c3)cc12
InChIInChI=1S/C20H19N5O2/c1-13(2)18-17-10-15(12-22-20(17)27-24-18)19(26)21-11-14-5-3-6-16(9-14)25-8-4-7-23-25/h3-10,12-13H,11H2,1-2H3,(H,21,26)
InChIKeyOFRWKYNURNUKKR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.46
Rot. Bonds5

About 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86965039) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86965039
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NCc3cccc(-n4cccn4)c3)cc12
InChIInChI=1S/C20H19N5O2/c1-13(2)18-17-10-15(12-22-20(17)27-24-18)19(26)21-11-14-5-3-6-16(9-14)25-8-4-7-23-25/h3-10,12-13H,11H2,1-2H3,(H,21,26)
InChIKeyOFRWKYNURNUKKR-UHFFFAOYSA-N
XLogP3.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95217301
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
N-[(2R)-3-methylbutan-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30137551
N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166337233
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
N-(1-methoxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24639517
2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
CID 112699473
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29183806

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 86965039) is 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)NCc3cccc(-n4cccn4)c3)cc12.
What is the InChIKey of 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OFRWKYNURNUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(2)18-17-10-15(12-22-20(17)27-24-18)19(26)21-11-14-5-3-6-16(9-14)25-8-4-7-23-25/h3-10,12-13H,11H2,1-2H3,(H,21,26).
What are the key properties of 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86965039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).