N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C21H20F3N3O3 — CID 162546274

IUPACN-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c1-20(2,12-28)27-15-10-8-14(9-11-15)25-18(29)16-17(21(22,23)24)30-19(26-16)13-6-4-3-5-7-13/h3-11,27-28H,12H2,1-2H3,(H,25,29)
InChIKeyRXVJISKYTQLQAC-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.80
Rot. Bonds6

About N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 162546274) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID162546274
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c1-20(2,12-28)27-15-10-8-14(9-11-15)25-18(29)16-17(21(22,23)24)30-19(26-16)13-6-4-3-5-7-13/h3-11,27-28H,12H2,1-2H3,(H,25,29)
InChIKeyRXVJISKYTQLQAC-UHFFFAOYSA-N
XLogP4.80
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-hydroxyethylamino)-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59301302
2-phenyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 57394997
2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetic acid
CID 59301334
N-[6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59301372
1-[2-oxo-2-[3-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]anilino]propylamino]ethyl]cyclopentane-1-carboxylic acid
CID 162586968
N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 52936954
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 16757011
2,2-dimethyl-4-oxo-4-[(3S)-3-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenoxy]pyrrolidin-1-yl]butanoic acid
CID 25120425
2,2-dimethyl-3-[1-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]propanoic acid
CID 25118299
2,2-diethyl-4-oxo-4-[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]-1,4-diazepan-1-yl]butanoic acid
CID 59185680
N-[6-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 86632274
N-[4-[1-(3,4-dihydroxycyclopentanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 66738193

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 162546274) is N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CC(C)(CO)Nc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RXVJISKYTQLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-20(2,12-28)27-15-10-8-14(9-11-15)25-18(29)16-17(21(22,23)24)30-19(26-16)13-6-4-3-5-7-13/h3-11,27-28H,12H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162546274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).