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

C24H21ClN2O3S — CID 18825026

IUPACN-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)Cc3ccccc3)o2)c1
InChIInChI=1S/C24H21ClN2O3S/c1-17-7-6-10-19(15-17)22-26-23(31(28,29)21-13-11-20(25)12-14-21)24(30-22)27(2)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
InChIKeyMDSPDGIUYKCVTJ-UHFFFAOYSA-N
MW452.96 g/mol
LogP5.77
Rot. Bonds6

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

N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825026) has the molecular formula C24H21ClN2O3S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18825026
Molecular FormulaC24H21ClN2O3S
Molecular Weight452.96 g/mol
Exact Mass452.10
IUPAC NameN-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)Cc3ccccc3)o2)c1
InChIInChI=1S/C24H21ClN2O3S/c1-17-7-6-10-19(15-17)22-26-23(31(28,29)21-13-11-20(25)12-14-21)24(30-22)27(2)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
InChIKeyMDSPDGIUYKCVTJ-UHFFFAOYSA-N
XLogP5.77
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18824916
4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 1206113
N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
CID 54228518
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 2252467
4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 167344308
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
CID 167344246
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18825000
N-[4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 18825155
N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 171703895
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine (CID 18825026) is N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine is Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)Cc3ccccc3)o2)c1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is MDSPDGIUYKCVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S/c1-17-7-6-10-19(15-17)22-26-23(31(28,29)21-13-11-20(25)12-14-21)24(30-22)27(2)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine?
N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 452.96 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).