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

C23H19FN2O3S — CID 18825590

IUPAC4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-15-7-11-18(12-8-15)25-22-23(30(27,28)19-13-9-17(24)10-14-19)26-21(29-22)20-6-4-3-5-16(20)2/h3-14,25H,1-2H3
InChIKeyYZSRFLTUFGQMHM-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.67
Rot. Bonds5

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

4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825590) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18825590
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-15-7-11-18(12-8-15)25-22-23(30(27,28)19-13-9-17(24)10-14-19)26-21(29-22)20-6-4-3-5-16(20)2/h3-14,25H,1-2H3
InChIKeyYZSRFLTUFGQMHM-UHFFFAOYSA-N
XLogP5.67
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826806
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18826529
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
N-[(2R)-butan-2-yl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 2219652
N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 2964748
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826756

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine (CID 18825590) is 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine is Cc1ccc(Nc2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is YZSRFLTUFGQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-15-7-11-18(12-8-15)25-22-23(30(27,28)19-13-9-17(24)10-14-19)26-21(29-22)20-6-4-3-5-16(20)2/h3-14,25H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 422.48 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).