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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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).