1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol

C23H16F12N2O2 — CID 11592304

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C23H16F12N2O2/c1-12-17(36-18(39-12)13-3-2-4-15(9-13)21(27,28)29)10-37(11-19(24,25)26)16-7-5-14(6-8-16)20(38,22(30,31)32)23(33,34)35/h2-9,38H,10-11H2,1H3
InChIKeyQOUARJFUWURIGY-UHFFFAOYSA-N
MW580.37 g/mol
LogP7.55
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol (PubChem CID 11592304) has the molecular formula C23H16F12N2O2 and a molecular weight of 580.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol
PubChem CID11592304
Molecular FormulaC23H16F12N2O2
Molecular Weight580.37 g/mol
Exact Mass580.10
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol
SMILESCc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C23H16F12N2O2/c1-12-17(36-18(39-12)13-3-2-4-15(9-13)21(27,28)29)10-37(11-19(24,25)26)16-7-5-14(6-8-16)20(38,22(30,31)32)23(33,34)35/h2-9,38H,10-11H2,1H3
InChIKeyQOUARJFUWURIGY-UHFFFAOYSA-N
XLogP7.55
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.37
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol with MolForge

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Related Compounds

[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
[(2S)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-2-pyrrolidinyl]methanol
CID 16189138
2-(4-(Ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11584508
2-(4-(((2-(3-Chlorophenyl)-5-methyloxazol-4-yl)methyl)(methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11698867
2-(3-Chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)methyl)(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713433
2-(4-(((2-(3-Chlorophenyl)-5-methyloxazol-4-yl)methyl)(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713676
2-(3-Chloro-4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11721039
4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperidine-1-carbonyl)-cis-cyclohexanecarboxylic Acid
CID 25118654
N-(4-(1-(cyclopropanecarbonyl)piperidin-4-yl)phenyl)-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide
CID 52936954
4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperidine-1-carboxylic Acid Methyl Ester
CID 52936955
US11608337, Example 24
CID 132085846

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol (CID 11592304) is 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol is Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol?
The InChIKey is QOUARJFUWURIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F12N2O2/c1-12-17(36-18(39-12)13-3-2-4-15(9-13)21(27,28)29)10-37(11-19(24,25)26)16-7-5-14(6-8-16)20(38,22(30,31)32)23(33,34)35/h2-9,38H,10-11H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol has a molecular weight of 580.37 g/mol, XLogP of 7.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl-(2,2,2-trifluoroethyl)amino]phenyl]propan-2-ol is sourced from PubChem (CID 11592304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).