N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C19H16F3N5O3 — CID 16757014

IUPACN-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)12-4-2-1-3-5-12)16(28)25-13-10-23-18(24-11-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,25,28)
InChIKeyHMNPFHJNEURHNP-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.24
Rot. Bonds4

About N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 16757014) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID16757014
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC NameN-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)12-4-2-1-3-5-12)16(28)25-13-10-23-18(24-11-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,25,28)
InChIKeyHMNPFHJNEURHNP-UHFFFAOYSA-N
XLogP3.24
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 16757014) is N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cnc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HMNPFHJNEURHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)12-4-2-1-3-5-12)16(28)25-13-10-23-18(24-11-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,25,28).
What are the key properties of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16757014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).