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

C23H17Cl2FN2O3S — CID 70165822

IUPAC4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(NCc2ccc(F)cc2)o1
InChIInChI=1S/C23H17Cl2FN2O3S/c1-14-4-2-3-5-18(14)21-28-23(32(29,30)17-10-11-19(24)20(25)12-17)22(31-21)27-13-15-6-8-16(26)9-7-15/h2-12,27H,13H2,1H3
InChIKeyBRAGRXTUBHQKRK-UHFFFAOYSA-N
MW491.37 g/mol
LogP6.54
Rot. Bonds6

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

4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 70165822) has the molecular formula C23H17Cl2FN2O3S and a molecular weight of 491.37 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
PubChem CID70165822
Molecular FormulaC23H17Cl2FN2O3S
Molecular Weight491.37 g/mol
Exact Mass490.03
IUPAC Name4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(NCc2ccc(F)cc2)o1
InChIInChI=1S/C23H17Cl2FN2O3S/c1-14-4-2-3-5-18(14)21-28-23(32(29,30)17-10-11-19(24)20(25)12-17)22(31-21)27-13-15-6-8-16(26)9-7-15/h2-12,27H,13H2,1H3
InChIKeyBRAGRXTUBHQKRK-UHFFFAOYSA-N
XLogP6.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-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

Related Compounds

N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 142192774
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825321
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18824916
N-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 16650224
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825520
N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 2964748

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine (CID 70165822) is 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine is Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(NCc2ccc(F)cc2)o1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is BRAGRXTUBHQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O3S/c1-14-4-2-3-5-18(14)21-28-23(32(29,30)17-10-11-19(24)20(25)12-17)22(31-21)27-13-15-6-8-16(26)9-7-15/h2-12,27H,13H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 491.37 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 70165822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).