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

C23H18ClFN2O3S — CID 18824916

IUPACN-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C23H18ClFN2O3S/c1-15-3-2-4-17(13-15)21-27-23(31(28,29)20-11-9-19(25)10-12-20)22(30-21)26-14-16-5-7-18(24)8-6-16/h2-13,26H,14H2,1H3
InChIKeySUEOAICEIJPCNT-UHFFFAOYSA-N
MW456.93 g/mol
LogP5.89
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18824916) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18824916
Molecular FormulaC23H18ClFN2O3S
Molecular Weight456.93 g/mol
Exact Mass456.07
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C23H18ClFN2O3S/c1-15-3-2-4-17(13-15)21-27-23(31(28,29)20-11-9-19(25)10-12-20)22(30-21)26-14-16-5-7-18(24)8-6-16/h2-13,26H,14H2,1H3
InChIKeySUEOAICEIJPCNT-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

Analyze N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine (CID 18824916) is N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine is Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is SUEOAICEIJPCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c1-15-3-2-4-17(13-15)21-27-23(31(28,29)20-11-9-19(25)10-12-20)22(30-21)26-14-16-5-7-18(24)8-6-16/h2-13,26H,14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-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 N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18824916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).