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

C23H18F2N2O3S — CID 171336710

IUPACN-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccccc3F)c(NCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-15-6-10-17(11-7-15)21-27-23(31(28,29)20-5-3-2-4-19(20)25)22(30-21)26-14-16-8-12-18(24)13-9-16/h2-13,26H,14H2,1H3
InChIKeyHYTJRPKQPPTFGG-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.37
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 171336710) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
PubChem CID171336710
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccccc3F)c(NCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-15-6-10-17(11-7-15)21-27-23(31(28,29)20-5-3-2-4-19(20)25)22(30-21)26-14-16-8-12-18(24)13-9-16/h2-13,26H,14H2,1H3
InChIKeyHYTJRPKQPPTFGG-UHFFFAOYSA-N
XLogP5.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (CID 171336710) is N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3F)c(NCc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is HYTJRPKQPPTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c1-15-6-10-17(11-7-15)21-27-23(31(28,29)20-5-3-2-4-19(20)25)22(30-21)26-14-16-8-12-18(24)13-9-16/h2-13,26H,14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 440.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 171336710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).