N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C20H19F3N4O2 — CID 166154842

IUPACN-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1cccnc1
InChIInChI=1S/C20H19F3N4O2/c1-27(2)11-10-25-18(28)16-17(14-4-3-9-24-12-14)29-19(26-16)13-5-7-15(8-6-13)20(21,22)23/h3-9,12H,10-11H2,1-2H3,(H,25,28)
InChIKeyPXOHVIKGPHJYQP-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 166154842) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID166154842
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1cccnc1
InChIInChI=1S/C20H19F3N4O2/c1-27(2)11-10-25-18(28)16-17(14-4-3-9-24-12-14)29-19(26-16)13-5-7-15(8-6-13)20(21,22)23/h3-9,12H,10-11H2,1-2H3,(H,25,28)
InChIKeyPXOHVIKGPHJYQP-UHFFFAOYSA-N
XLogP3.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 166154842) is N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CN(C)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PXOHVIKGPHJYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-27(2)11-10-25-18(28)16-17(14-4-3-9-24-12-14)29-19(26-16)13-5-7-15(8-6-13)20(21,22)23/h3-9,12H,10-11H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166154842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).