N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine

C19H16F6N2O — CID 13265290

IUPACN-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine
SMILESCN(Cc1ccccc1)C1OC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H16F6N2O/c1-27(12-13-8-4-2-5-9-13)16-17(18(20,21)22,19(23,24)25)26-15(28-16)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKeyAGHNHMXDUCLRKR-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.78
Rot. Bonds4

About N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine

N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine (PubChem CID 13265290) has the molecular formula C19H16F6N2O and a molecular weight of 402.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine
PubChem CID13265290
Molecular FormulaC19H16F6N2O
Molecular Weight402.34 g/mol
Exact Mass402.12
IUPAC NameN-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine
SMILESCN(Cc1ccccc1)C1OC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H16F6N2O/c1-27(12-13-8-4-2-5-9-13)16-17(18(20,21)22,19(23,24)25)26-15(28-16)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKeyAGHNHMXDUCLRKR-UHFFFAOYSA-N
XLogP4.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-butylpiperazine
CID 44358317
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-methylpiperazine
CID 44358612
4-Phenyl-2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853169
2-Phenyl-4,4-bis(trifluoromethyl)-5-dimethylamino-2-oxazoline
CID 13862885
1-[2-[[3-(Trifluoromethyl)phenyl]methoxy]ethyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 353135
2-Phenyl-4-(4-(trifluoromethyl)phenyl)-4,5-dihydrooxazole
CID 101796545
2-Phenyl-4,4-bis(trifluoromethyl)-5-methylbenzylamino-2-oxazoline
CID 129810536
2,4-Diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938643
4-(3,5-Bis(trifluoromethyl)phenyl)-2-phenyl-4,5-dihydrooxazole
CID 146025892
2-Phenyl-4-(2-(trifluoromethyl)phenyl)-4,5-dihydrooxazole
CID 146025896
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-ethyl-3-methyl-5-phenyl-4H-imidazole
CID 10161546
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dimethyl-5-phenyl-4H-imidazole
CID 10224601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine (CID 13265290) is N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine is CN(Cc1ccccc1)C1OC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine?
The InChIKey is AGHNHMXDUCLRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O/c1-27(12-13-8-4-2-5-9-13)16-17(18(20,21)22,19(23,24)25)26-15(28-16)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine?
N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine has a molecular weight of 402.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-phenyl-4,4-bis(trifluoromethyl)-5H-1,3-oxazol-5-amine is sourced from PubChem (CID 13265290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).