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

C23H18ClFN2O3S — CID 18826583

IUPAC2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
SMILESCc1ccc(CNc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18ClFN2O3S/c1-15-6-8-16(9-7-15)14-26-22-23(31(28,29)18-12-10-17(25)11-13-18)27-21(30-22)19-4-2-3-5-20(19)24/h2-13,26H,14H2,1H3
InChIKeyAYZINQHKVSYXBP-UHFFFAOYSA-N
MW456.93 g/mol
LogP5.89
Rot. Bonds6

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

2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine (PubChem CID 18826583) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
PubChem CID18826583
Molecular FormulaC23H18ClFN2O3S
Molecular Weight456.93 g/mol
Exact Mass456.07
IUPAC Name2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
SMILESCc1ccc(CNc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18ClFN2O3S/c1-15-6-8-16(9-7-15)14-26-22-23(31(28,29)18-12-10-17(25)11-13-18)27-21(30-22)19-4-2-3-5-20(19)24/h2-13,26H,14H2,1H3
InChIKeyAYZINQHKVSYXBP-UHFFFAOYSA-N
XLogP5.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine (CID 18826583) is 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine is Cc1ccc(CNc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The InChIKey is AYZINQHKVSYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c1-15-6-8-16(9-7-15)14-26-22-23(31(28,29)18-12-10-17(25)11-13-18)27-21(30-22)19-4-2-3-5-20(19)24/h2-13,26H,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine has a molecular weight of 456.93 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 18826583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).