N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H16N6O3 — CID 44824723

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc(C)c1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12
InChIInChI=1S/C17H16N6O3/c1-8-14-12(16(24)20-15-9(2)22-25-10(15)3)5-13(19-17(14)26-21-8)11-6-18-23(4)7-11/h5-7H,1-4H3,(H,20,24)
InChIKeyQIWFNFKHIUKDDY-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.79
Rot. Bonds3

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824723) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824723
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc(C)c1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12
InChIInChI=1S/C17H16N6O3/c1-8-14-12(16(24)20-15-9(2)22-25-10(15)3)5-13(19-17(14)26-21-8)11-6-18-23(4)7-11/h5-7H,1-4H3,(H,20,24)
InChIKeyQIWFNFKHIUKDDY-UHFFFAOYSA-N
XLogP2.79
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824998
N-(1-ethylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824791
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824761
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824836
3-methyl-6-(1-methylpyrazol-4-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824861
3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824797
3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51855283
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 44824847
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44824807
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2R)-2-phenylpiperidin-1-yl]methanone
CID 51855317
N'-(2,5-dimethylfuran-3-carbonyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 43038235

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824723) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc(C)c1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c12.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QIWFNFKHIUKDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-8-14-12(16(24)20-15-9(2)22-25-10(15)3)5-13(19-17(14)26-21-8)11-6-18-23(4)7-11/h5-7H,1-4H3,(H,20,24).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).