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

C23H19ClN2O3S — CID 18825321

IUPAC4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2Cl)o1
InChIInChI=1S/C23H19ClN2O3S/c1-16-9-5-7-13-19(16)21-26-23(30(27,28)18-11-3-2-4-12-18)22(29-21)25-15-17-10-6-8-14-20(17)24/h2-14,25H,15H2,1H3
InChIKeyHUUQYLCBIYEACP-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.75
Rot. Bonds6

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

4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825321) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18825321
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2Cl)o1
InChIInChI=1S/C23H19ClN2O3S/c1-16-9-5-7-13-19(16)21-26-23(30(27,28)18-11-3-2-4-12-18)22(29-21)25-15-17-10-6-8-14-20(17)24/h2-14,25H,15H2,1H3
InChIKeyHUUQYLCBIYEACP-UHFFFAOYSA-N
XLogP5.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
N-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 16650224
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazol-5-amine
CID 10228097
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
CID 10108934
N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 171703895
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825520
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 70165822
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 142192774
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine (CID 18825321) is 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine is Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCc2ccccc2Cl)o1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is HUUQYLCBIYEACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-16-9-5-7-13-19(16)21-26-23(30(27,28)18-11-3-2-4-12-18)22(29-21)25-15-17-10-6-8-14-20(17)24/h2-14,25H,15H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 438.94 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).