3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C15H13F3N4O2S — CID 78866517

IUPAC3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3nc(C(F)(F)F)cs3)c12
InChIInChI=1S/C15H13F3N4O2S/c1-6(2)9-4-8(11-7(3)22-24-13(11)19-9)12(23)21-14-20-10(5-25-14)15(16,17)18/h4-6H,1-3H3,(H,20,21,23)
InChIKeyBHXFZTGBQFTZHO-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.38
Rot. Bonds3

About 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78866517) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78866517
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3nc(C(F)(F)F)cs3)c12
InChIInChI=1S/C15H13F3N4O2S/c1-6(2)9-4-8(11-7(3)22-24-13(11)19-9)12(23)21-14-20-10(5-25-14)15(16,17)18/h4-6H,1-3H3,(H,20,21,23)
InChIKeyBHXFZTGBQFTZHO-UHFFFAOYSA-N
XLogP4.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78845129
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808169
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
N-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163
3-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112806948
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78840051
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370
2-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78866517) is 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc(C(F)(F)F)cs3)c12.
What is the InChIKey of 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BHXFZTGBQFTZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c1-6(2)9-4-8(11-7(3)22-24-13(11)19-9)12(23)21-14-20-10(5-25-14)15(16,17)18/h4-6H,1-3H3,(H,20,21,23).
What are the key properties of 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78866517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).