4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine

C24H19F3N2O4S — CID 10228097

IUPAC4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C24H19F3N2O4S/c1-16-9-5-7-13-19(16)21-29-23(34(30,31)18-11-3-2-4-12-18)22(32-21)28-15-17-10-6-8-14-20(17)33-24(25,26)27/h2-14,28H,15H2,1H3
InChIKeyMLKBYUATZRQBBQ-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.99
Rot. Bonds7

About 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine (PubChem CID 10228097) has the molecular formula C24H19F3N2O4S and a molecular weight of 488.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine
PubChem CID10228097
Molecular FormulaC24H19F3N2O4S
Molecular Weight488.49 g/mol
Exact Mass488.10
IUPAC Name4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C24H19F3N2O4S/c1-16-9-5-7-13-19(16)21-29-23(34(30,31)18-11-3-2-4-12-18)22(32-21)28-15-17-10-6-8-14-20(17)33-24(25,26)27/h2-14,28H,15H2,1H3
InChIKeyMLKBYUATZRQBBQ-UHFFFAOYSA-N
XLogP5.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825321
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
CID 10108934
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 70165822
[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 70167008
4-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825538
N-[(2R)-butan-2-yl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 2219652
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 42587637

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine (CID 10228097) is 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine is Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2OC(F)(F)F)o1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine?
The InChIKey is MLKBYUATZRQBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4S/c1-16-9-5-7-13-19(16)21-29-23(34(30,31)18-11-3-2-4-12-18)22(32-21)28-15-17-10-6-8-14-20(17)33-24(25,26)27/h2-14,28H,15H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine has a molecular weight of 488.49 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 10228097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).