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

C23H19ClN2O3S — CID 171703895

IUPACN-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCc1cccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2ccccc2Cl)c1
InChIInChI=1S/C23H19ClN2O3S/c1-16-8-7-12-19(14-16)30(27,28)23-22(25-15-18-11-5-6-13-20(18)24)29-21(26-23)17-9-3-2-4-10-17/h2-14,25H,15H2,1H3
InChIKeyOXZVUPANMLZVRG-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.75
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 171703895) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID171703895
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCc1cccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2ccccc2Cl)c1
InChIInChI=1S/C23H19ClN2O3S/c1-16-8-7-12-19(14-16)30(27,28)23-22(25-15-18-11-5-6-13-20(18)24)29-21(26-23)17-9-3-2-4-10-17/h2-14,25H,15H2,1H3
InChIKeyOXZVUPANMLZVRG-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

4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825321
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
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
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18825000
4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16812296
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (CID 171703895) is N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is Cc1cccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is OXZVUPANMLZVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-16-8-7-12-19(14-16)30(27,28)23-22(25-15-18-11-5-6-13-20(18)24)29-21(26-23)17-9-3-2-4-10-17/h2-14,25H,15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-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 N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 171703895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).