5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid

C17H12F3N3O3 — CID 155585171

IUPAC5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
SMILESCc1nc(Nc2ccc(C(=O)O)nc2)oc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c1-9-14(10-2-4-11(5-3-10)17(18,19)20)26-16(22-9)23-12-6-7-13(15(24)25)21-8-12/h2-8H,1H3,(H,22,23)(H,24,25)
InChIKeyQPNSHTYLIIBAML-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.51
Rot. Bonds4

About 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid

5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 155585171) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID155585171
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
SMILESCc1nc(Nc2ccc(C(=O)O)nc2)oc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c1-9-14(10-2-4-11(5-3-10)17(18,19)20)26-16(22-9)23-12-6-7-13(15(24)25)21-8-12/h2-8H,1H3,(H,22,23)(H,24,25)
InChIKeyQPNSHTYLIIBAML-UHFFFAOYSA-N
XLogP4.51
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-indol-3-ol
CID 152579822
N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
CID 167597183
N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167659066
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 23137152
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid (CID 155585171) is 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid is Cc1nc(Nc2ccc(C(=O)O)nc2)oc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is QPNSHTYLIIBAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-9-14(10-2-4-11(5-3-10)17(18,19)20)26-16(22-9)23-12-6-7-13(15(24)25)21-8-12/h2-8H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 363.30 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 155585171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).