N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C15H17F3N4O3 — CID 52936629

IUPACN-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1
InChIInChI=1S/C15H17F3N4O3/c1-9-20-12(13(25-9)15(16,17)18)14(23)21-10-4-5-11(19-8-10)22(2)6-7-24-3/h4-5,8H,6-7H2,1-3H3,(H,21,23)
InChIKeyMONQMZFWAUSONS-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.73
Rot. Bonds6

About N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936629) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936629
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC NameN-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1
InChIInChI=1S/C15H17F3N4O3/c1-9-20-12(13(25-9)15(16,17)18)14(23)21-10-4-5-11(19-8-10)22(2)6-7-24-3/h4-5,8H,6-7H2,1-3H3,(H,21,23)
InChIKeyMONQMZFWAUSONS-UHFFFAOYSA-N
XLogP2.73
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936629) is N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is COCCN(C)c1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1.
What is the InChIKey of N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MONQMZFWAUSONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c1-9-20-12(13(25-9)15(16,17)18)14(23)21-10-4-5-11(19-8-10)22(2)6-7-24-3/h4-5,8H,6-7H2,1-3H3,(H,21,23).
What are the key properties of N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).