N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

C18H13F3N4O3 — CID 167659066

IUPACN-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESO=CCNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)12-3-1-11(2-4-12)15-10-24-17(28-15)25-13-5-6-14(23-9-13)16(27)22-7-8-26/h1-6,8-10H,7H2,(H,22,27)(H,24,25)
InChIKeyRRPZPORGRROJIL-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.43
Rot. Bonds6

About N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (PubChem CID 167659066) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
PubChem CID167659066
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC NameN-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESO=CCNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C18H13F3N4O3/c19-18(20,21)12-3-1-11(2-4-12)15-10-24-17(28-15)25-13-5-6-14(23-9-13)16(27)22-7-8-26/h1-6,8-10H,7H2,(H,22,27)(H,24,25)
InChIKeyRRPZPORGRROJIL-UHFFFAOYSA-N
XLogP3.43
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-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-(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-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585279
N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
CID 164936178
5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
CID 155585171
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
CID 155585282
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 156506688
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
CID 155585177
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (CID 167659066) is N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is O=CCNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.
What is the InChIKey of N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is RRPZPORGRROJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c19-18(20,21)12-3-1-11(2-4-12)15-10-24-17(28-15)25-13-5-6-14(23-9-13)16(27)22-7-8-26/h1-6,8-10H,7H2,(H,22,27)(H,24,25).
What are the key properties of N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 390.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167659066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).