4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine

C24H21FN2O4S — CID 18827053

IUPAC4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H21FN2O4S/c1-16-3-5-17(6-4-16)15-26-23-24(32(28,29)21-13-9-19(25)10-14-21)27-22(31-23)18-7-11-20(30-2)12-8-18/h3-14,26H,15H2,1-2H3
InChIKeyIPKUILKLUSBFEP-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.24
Rot. Bonds7

About 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine (PubChem CID 18827053) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
PubChem CID18827053
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H21FN2O4S/c1-16-3-5-17(6-4-16)15-26-23-24(32(28,29)21-13-9-19(25)10-14-21)27-22(31-23)18-7-11-20(30-2)12-8-18/h3-14,26H,15H2,1-2H3
InChIKeyIPKUILKLUSBFEP-UHFFFAOYSA-N
XLogP5.24
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine (CID 18827053) is 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine is COc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The InChIKey is IPKUILKLUSBFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-16-3-5-17(6-4-16)15-26-23-24(32(28,29)21-13-9-19(25)10-14-21)27-22(31-23)18-7-11-20(30-2)12-8-18/h3-14,26H,15H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine has a molecular weight of 452.51 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 18827053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).