N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C20H17F3N4O4 — CID 57398505

IUPACN-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCC(=O)N(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N4O4/c1-27(15(28)11-30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29)
InChIKeyFWCHTVBBMWOGGE-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.62
Rot. Bonds6

About N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57398505) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID57398505
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC NameN-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCC(=O)N(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N4O4/c1-27(15(28)11-30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29)
InChIKeyFWCHTVBBMWOGGE-UHFFFAOYSA-N
XLogP3.62
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 57398505) is N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is COCC(=O)N(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1.
What is the InChIKey of N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FWCHTVBBMWOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c1-27(15(28)11-30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29).
What are the key properties of N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyacetyl)-methylamino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).