N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C21H17F3N2O3 — CID 25477471

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)14-5-3-6-15(10-14)28-12-16-11-19(26-29-16)20(27)25-18-9-8-13-4-1-2-7-17(13)18/h1-7,10-11,18H,8-9,12H2,(H,25,27)/t18-/m1/s1
InChIKeyAJZQHPSWWBWZHA-GOSISDBHSA-N
MW402.37 g/mol
LogP4.69
Rot. Bonds5

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 25477471) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID25477471
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)14-5-3-6-15(10-14)28-12-16-11-19(26-29-16)20(27)25-18-9-8-13-4-1-2-7-17(13)18/h1-7,10-11,18H,8-9,12H2,(H,25,27)/t18-/m1/s1
InChIKeyAJZQHPSWWBWZHA-GOSISDBHSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 45178795
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082792
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92773243
4-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93008783
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 24792979
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 26392951
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 47387060
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 2128006
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078695
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide
CID 162357785

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 25477471) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCc2ccccc21)c1cc(COc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AJZQHPSWWBWZHA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)14-5-3-6-15(10-14)28-12-16-11-19(26-29-16)20(27)25-18-9-8-13-4-1-2-7-17(13)18/h1-7,10-11,18H,8-9,12H2,(H,25,27)/t18-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25477471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).