N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C19H18F3N5O3 — CID 16757108

IUPACN-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5O3/c1-27(8-9-29-2)18-23-10-13(11-24-18)25-16(28)14-15(19(20,21)22)30-17(26-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,25,28)
InChIKeyZQOHEEKXXKJSHZ-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.49
Rot. Bonds7

About N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 16757108) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID16757108
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N5O3/c1-27(8-9-29-2)18-23-10-13(11-24-18)25-16(28)14-15(19(20,21)22)30-17(26-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,25,28)
InChIKeyZQOHEEKXXKJSHZ-UHFFFAOYSA-N
XLogP3.49
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 16757108) is N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is COCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZQOHEEKXXKJSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-27(8-9-29-2)18-23-10-13(11-24-18)25-16(28)14-15(19(20,21)22)30-17(26-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16757108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).