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

C22H16BrClN2O3S — CID 18824900

IUPAC4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2)oc1NCc1ccc(Cl)cc1
InChIInChI=1S/C22H16BrClN2O3S/c23-17-8-12-19(13-9-17)30(27,28)22-21(25-14-15-6-10-18(24)11-7-15)29-20(26-22)16-4-2-1-3-5-16/h1-13,25H,14H2
InChIKeyWIDDVVYSIATLST-UHFFFAOYSA-N
MW503.81 g/mol
LogP6.20
Rot. Bonds6

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

4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine (PubChem CID 18824900) has the molecular formula C22H16BrClN2O3S and a molecular weight of 503.81 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
PubChem CID18824900
Molecular FormulaC22H16BrClN2O3S
Molecular Weight503.81 g/mol
Exact Mass501.98
IUPAC Name4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2)oc1NCc1ccc(Cl)cc1
InChIInChI=1S/C22H16BrClN2O3S/c23-17-8-12-19(13-9-17)30(27,28)22-21(25-14-15-6-10-18(24)11-7-15)29-20(26-22)16-4-2-1-3-5-16/h1-13,25H,14H2
InChIKeyWIDDVVYSIATLST-UHFFFAOYSA-N
XLogP6.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.81
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-chlorophenyl)-1,3-oxazol-5-amine
CID 4704826
N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 3792980
N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18824916
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
4-(4-bromophenyl)sulfonyl-2-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 18826304
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648
N-benzyl-2-(3-bromophenyl)-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890512
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18825810

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine (CID 18824900) is 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2)oc1NCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is WIDDVVYSIATLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O3S/c23-17-8-12-19(13-9-17)30(27,28)22-21(25-14-15-6-10-18(24)11-7-15)29-20(26-22)16-4-2-1-3-5-16/h1-13,25H,14H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 503.81 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18824900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).