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

C22H16F2N2O3S — CID 18826806

IUPAC2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H16F2N2O3S/c1-14-6-12-17(13-7-14)30(27,28)22-21(25-16-10-8-15(23)9-11-16)29-20(26-22)18-4-2-3-5-19(18)24/h2-13,25H,1H3
InChIKeyGNECWMAJWOJPAE-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.50
Rot. Bonds5

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

2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18826806) has the molecular formula C22H16F2N2O3S and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18826806
Molecular FormulaC22H16F2N2O3S
Molecular Weight426.44 g/mol
Exact Mass426.08
IUPAC Name2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H16F2N2O3S/c1-14-6-12-17(13-7-14)30(27,28)22-21(25-16-10-8-15(23)9-11-16)29-20(26-22)18-4-2-3-5-19(18)24/h2-13,25H,1H3
InChIKeyGNECWMAJWOJPAE-UHFFFAOYSA-N
XLogP5.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825590
4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826756
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826891
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826947
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18826529
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826949
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826825
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18826806) is 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is GNECWMAJWOJPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3S/c1-14-6-12-17(13-7-14)30(27,28)22-21(25-16-10-8-15(23)9-11-16)29-20(26-22)18-4-2-3-5-19(18)24/h2-13,25H,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 426.44 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).