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

C22H16ClFN2O4S — CID 18825609

IUPAC4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClFN2O4S/c1-29-18-10-8-17(9-11-18)25-21-22(31(27,28)19-12-4-15(23)5-13-19)26-20(30-21)14-2-6-16(24)7-3-14/h2-13,25H,1H3
InChIKeyGZGIEPKMDYIYCF-UHFFFAOYSA-N
MW458.90 g/mol
LogP5.72
Rot. Bonds6

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

4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18825609) has the molecular formula C22H16ClFN2O4S and a molecular weight of 458.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18825609
Molecular FormulaC22H16ClFN2O4S
Molecular Weight458.90 g/mol
Exact Mass458.05
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClFN2O4S/c1-29-18-10-8-17(9-11-18)25-21-22(31(27,28)19-12-4-15(23)5-13-19)26-20(30-21)14-2-6-16(24)7-3-14/h2-13,25H,1H3
InChIKeyGZGIEPKMDYIYCF-UHFFFAOYSA-N
XLogP5.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.90
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648
N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 18826417
2-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825942
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18827102

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine (CID 18825609) is 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine is COc1ccc(Nc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is GZGIEPKMDYIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O4S/c1-29-18-10-8-17(9-11-18)25-21-22(31(27,28)19-12-4-15(23)5-13-19)26-20(30-21)14-2-6-16(24)7-3-14/h2-13,25H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 458.90 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).