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

C19H13F3N4O2S — CID 55671870

IUPACN,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)c3nccs3)c12
InChIInChI=1S/C19H13F3N4O2S/c1-10-15-12(17(27)26(2)18-23-7-8-29-18)9-14(24-16(15)28-25-10)11-5-3-4-6-13(11)19(20,21)22/h3-9H,1-2H3
InChIKeyPOOJNPCQNMEXQD-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.95
Rot. Bonds3

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

N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55671870) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55671870
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC NameN,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)c3nccs3)c12
InChIInChI=1S/C19H13F3N4O2S/c1-10-15-12(17(27)26(2)18-23-7-8-29-18)9-14(24-16(15)28-25-10)11-5-3-4-6-13(11)19(20,21)22/h3-9H,1-2H3
InChIKeyPOOJNPCQNMEXQD-UHFFFAOYSA-N
XLogP4.95
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
3-methyl-N-(1-pyridin-2-ylethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55503404
3-methyl-N-pyridin-3-yl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36716366
(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112810042
N-[(1R)-1-cyclopropylethyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33045364
N-(5-acetamido-2-chlorophenyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55915451
N-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112818170
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485176
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118381
N,3-dimethyl-6-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75406936
3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47074084
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55671870) is N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)c3nccs3)c12.
What is the InChIKey of N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is POOJNPCQNMEXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c1-10-15-12(17(27)26(2)18-23-7-8-29-18)9-14(24-16(15)28-25-10)11-5-3-4-6-13(11)19(20,21)22/h3-9H,1-2H3.
What are the key properties of N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55671870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).