N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

C22H16ClFN2O3S — CID 18825657

IUPACN-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClFN2O3S/c1-14-2-12-19(13-3-14)30(27,28)22-21(25-18-10-6-16(23)7-11-18)29-20(26-22)15-4-8-17(24)9-5-15/h2-13,25H,1H3
InChIKeyIZRBLNSGTQGBTN-UHFFFAOYSA-N
MW442.90 g/mol
LogP6.02
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18825657) has the molecular formula C22H16ClFN2O3S and a molecular weight of 442.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18825657
Molecular FormulaC22H16ClFN2O3S
Molecular Weight442.90 g/mol
Exact Mass442.06
IUPAC NameN-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClFN2O3S/c1-14-2-12-19(13-3-14)30(27,28)22-21(25-18-10-6-16(23)7-11-18)29-20(26-22)15-4-8-17(24)9-5-15/h2-13,25H,1H3
InChIKeyIZRBLNSGTQGBTN-UHFFFAOYSA-N
XLogP6.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.90
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18825657) is N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is IZRBLNSGTQGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3S/c1-14-2-12-19(13-3-14)30(27,28)22-21(25-18-10-6-16(23)7-11-18)29-20(26-22)15-4-8-17(24)9-5-15/h2-13,25H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 442.90 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).