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

C18H15F3N4O3 — CID 56711693

IUPACN-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESNc1ncccc1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H15F3N4O3/c19-18(20,21)12-4-1-5-13(7-12)27-10-15-25-14(9-28-15)17(26)24-8-11-3-2-6-23-16(11)22/h1-7,9H,8,10H2,(H2,22,23)(H,24,26)
InChIKeyVQJKFIFRDDJGSZ-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.18
Rot. Bonds6

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

N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56711693) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
PubChem CID56711693
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESNc1ncccc1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H15F3N4O3/c19-18(20,21)12-4-1-5-13(7-12)27-10-15-25-14(9-28-15)17(26)24-8-11-3-2-6-23-16(11)22/h1-7,9H,8,10H2,(H2,22,23)(H,24,26)
InChIKeyVQJKFIFRDDJGSZ-UHFFFAOYSA-N
XLogP3.18
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42198397
N-prop-2-enyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42245332
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 26390943
N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56701361
N-[[(2S)-oxan-2-yl]methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42154892
N-(oxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45171870
methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
CID 42393681
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45224537
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 56722009
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56707993

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (CID 56711693) is N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is Nc1ncccc1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VQJKFIFRDDJGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c19-18(20,21)12-4-1-5-13(7-12)27-10-15-25-14(9-28-15)17(26)24-8-11-3-2-6-23-16(11)22/h1-7,9H,8,10H2,(H2,22,23)(H,24,26).
What are the key properties of N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56711693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).