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

C22H15BrF2N2O3S — CID 18826933

IUPAC4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1
InChIInChI=1S/C22H15BrF2N2O3S/c23-15-7-11-17(12-8-15)31(28,29)22-21(26-13-14-5-9-16(24)10-6-14)30-20(27-22)18-3-1-2-4-19(18)25/h1-12,26H,13H2
InChIKeyJCBCJTLBDZCQNN-UHFFFAOYSA-N
MW505.34 g/mol
LogP5.83
Rot. Bonds6

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

4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine (PubChem CID 18826933) has the molecular formula C22H15BrF2N2O3S and a molecular weight of 505.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
PubChem CID18826933
Molecular FormulaC22H15BrF2N2O3S
Molecular Weight505.34 g/mol
Exact Mass504.00
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1
InChIInChI=1S/C22H15BrF2N2O3S/c23-15-7-11-17(12-8-15)31(28,29)22-21(26-13-14-5-9-16(24)10-6-14)30-20(27-22)18-3-1-2-4-19(18)25/h1-12,26H,13H2
InChIKeyJCBCJTLBDZCQNN-UHFFFAOYSA-N
XLogP5.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.34
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826829
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826825
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
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-fluorophenyl)-1,3-oxazol-5-amine
CID 18826754
4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 70165822
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826947
4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826949
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine (CID 18826933) is 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
The InChIKey is JCBCJTLBDZCQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF2N2O3S/c23-15-7-11-17(12-8-15)31(28,29)22-21(26-13-14-5-9-16(24)10-6-14)30-20(27-22)18-3-1-2-4-19(18)25/h1-12,26H,13H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine has a molecular weight of 505.34 g/mol, XLogP of 5.83, 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-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 18826933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).