4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine

C15H13BrN2O3S2 — CID 5267448

IUPAC4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O3S2/c1-18(2)15-14(17-13(21-15)12-4-3-9-22-12)23(19,20)11-7-5-10(16)6-8-11/h3-9H,1-2H3
InChIKeySQACCALJIZCNQJ-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine

4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 5267448) has the molecular formula C15H13BrN2O3S2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID5267448
Molecular FormulaC15H13BrN2O3S2
Molecular Weight413.32 g/mol
Exact Mass411.96
IUPAC Name4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O3S2/c1-18(2)15-14(17-13(21-15)12-4-3-9-22-12)23(19,20)11-7-5-10(16)6-8-11/h3-9H,1-2H3
InChIKeySQACCALJIZCNQJ-UHFFFAOYSA-N
XLogP4.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 18826901
4-(4-bromophenyl)sulfonyl-5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole
CID 5267500
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267311
4-(benzenesulfonyl)-5-ethoxy-2-thiophen-2-yl-1,3-oxazole
CID 14931733
4-(4-methylphenyl)sulfonyl-5-(2-methylpropylsulfonyl)-2-thiophen-2-yl-1,3-oxazole
CID 23605503
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267265
5-(azepan-1-yl)-4-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole
CID 5267327
4-(benzenesulfonyl)-N,N-dimethyl-2-(4-nitrophenyl)-1,3-oxazol-5-amine
CID 4961327
4-(4-chlorophenyl)sulfonyl-2-(2,4-dichlorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 2252467
2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine
CID 18889884
4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267201
4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244719

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 5267448) is 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine is CN(C)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is SQACCALJIZCNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S2/c1-18(2)15-14(17-13(21-15)12-4-3-9-22-12)23(19,20)11-7-5-10(16)6-8-11/h3-9H,1-2H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 413.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-N,N-dimethyl-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 5267448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).