N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H24F3N3O4 — CID 121315677

IUPACN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H24F3N3O4/c1-5-25(10-8-14-24-15(12(2)29-14)18(3,4)27)17(26)13-7-6-9-23-16(13)28-11-19(20,21)22/h6-7,9,27H,5,8,10-11H2,1-4H3
InChIKeySDTVUTMMUHWEJQ-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.25
Rot. Bonds8

About N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 121315677) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID121315677
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H24F3N3O4/c1-5-25(10-8-14-24-15(12(2)29-14)18(3,4)27)17(26)13-7-6-9-23-16(13)28-11-19(20,21)22/h6-7,9,27H,5,8,10-11H2,1-4H3
InChIKeySDTVUTMMUHWEJQ-UHFFFAOYSA-N
XLogP3.25
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 121315677) is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is SDTVUTMMUHWEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O4/c1-5-25(10-8-14-24-15(12(2)29-14)18(3,4)27)17(26)13-7-6-9-23-16(13)28-11-19(20,21)22/h6-7,9,27H,5,8,10-11H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121315677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).