2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C20H16ClF3N4O3 — CID 59301322

IUPAC2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2Cl)oc1C(F)(F)F
InChIInChI=1S/C20H16ClF3N4O3/c21-14-4-2-1-3-13(14)19-27-16(17(31-19)20(22,23)24)18(29)26-12-5-6-15(25-11-12)28-7-9-30-10-8-28/h1-6,11H,7-10H2,(H,26,29)
InChIKeyOJMJSAICUSGEPA-UHFFFAOYSA-N
MW452.82 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 59301322) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID59301322
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC Name2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2Cl)oc1C(F)(F)F
InChIInChI=1S/C20H16ClF3N4O3/c21-14-4-2-1-3-13(14)19-27-16(17(31-19)20(22,23)24)18(29)26-12-5-6-15(25-11-12)28-7-9-30-10-8-28/h1-6,11H,7-10H2,(H,26,29)
InChIKeyOJMJSAICUSGEPA-UHFFFAOYSA-N
XLogP4.50
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dgat1-IN-3
CID 16757107
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
2-[(3-chlorophenyl)methyl]-N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 10002821
[2-(3-Chloro-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10387118
[2-(3-Chloro-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-piperidin-2-yl-ethyl)-amine
CID 10409093
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (2-morpholin-4-yl-pyrimidin-5-yl)-amide
CID 16757014
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
5-Chloro-2-phenyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757106
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid{2-[(2-Methoxyethyl)methylamino]pyrimidin-5-yl}amide
CID 16757108
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3-Ethoxyazetidin-1-yl)pyridin-3-yl]amide
CID 52936727

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 59301322) is 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2Cl)oc1C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OJMJSAICUSGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c21-14-4-2-1-3-13(14)19-27-16(17(31-19)20(22,23)24)18(29)26-12-5-6-15(25-11-12)28-7-9-30-10-8-28/h1-6,11H,7-10H2,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59301322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).