[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine

C24H19F3N2O4S — CID 70167008

IUPAC[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(C(N)c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C24H19F3N2O4S/c1-15-7-5-6-10-19(15)22-29-23(34(30,31)18-8-3-2-4-9-18)21(32-22)20(28)16-11-13-17(14-12-16)33-24(25,26)27/h2-14,20H,28H2,1H3
InChIKeySEEAWZOEVQXXNW-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.43
Rot. Bonds6

About [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine

[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 70167008) has the molecular formula C24H19F3N2O4S and a molecular weight of 488.49 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID70167008
Molecular FormulaC24H19F3N2O4S
Molecular Weight488.49 g/mol
Exact Mass488.10
IUPAC Name[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(C(N)c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C24H19F3N2O4S/c1-15-7-5-6-10-19(15)22-29-23(34(30,31)18-8-3-2-4-9-18)21(32-22)20(28)16-11-13-17(14-12-16)33-24(25,26)27/h2-14,20H,28H2,1H3
InChIKeySEEAWZOEVQXXNW-UHFFFAOYSA-N
XLogP5.43
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine with MolForge

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Related Compounds

[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine
CID 70167921
[4-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-(4-fluorophenyl)methanamine
CID 70166557
[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(2-ethoxyphenyl)methanamine
CID 70164941
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine
CID 10228097
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
CID 10108934
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240516
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825321
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
[4-(trifluoromethoxy)phenyl] benzenesulfonate
CID 174480543

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine (CID 70167008) is [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine is Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(C(N)c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is SEEAWZOEVQXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4S/c1-15-7-5-6-10-19(15)22-29-23(34(30,31)18-8-3-2-4-9-18)21(32-22)20(28)16-11-13-17(14-12-16)33-24(25,26)27/h2-14,20H,28H2,1H3.
What are the key properties of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine?
[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 488.49 g/mol, XLogP of 5.43, 6 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)-1,3-oxazol-5-yl]-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 70167008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).