4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine

C15H13BrN2OS — CID 66199849

IUPAC4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2cccc(Br)c2)sc1C
InChIInChI=1S/C15H13BrN2OS/c1-8-6-12(20-9(8)2)14-13(15(17)18-19-14)10-4-3-5-11(16)7-10/h3-7H,1-2H3,(H2,17,18)
InChIKeyXJVJUHGBUVYACU-UHFFFAOYSA-N
MW349.25 g/mol
LogP5.03
Rot. Bonds2

About 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66199849) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66199849
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2cccc(Br)c2)sc1C
InChIInChI=1S/C15H13BrN2OS/c1-8-6-12(20-9(8)2)14-13(15(17)18-19-14)10-4-3-5-11(16)7-10/h3-7H,1-2H3,(H2,17,18)
InChIKeyXJVJUHGBUVYACU-UHFFFAOYSA-N
XLogP5.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199043
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823944
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
CID 105064768
5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 80538327
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 65238708

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66199849) is 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2-c2cccc(Br)c2)sc1C.
What is the InChIKey of 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is XJVJUHGBUVYACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-8-6-12(20-9(8)2)14-13(15(17)18-19-14)10-4-3-5-11(16)7-10/h3-7H,1-2H3,(H2,17,18).
What are the key properties of 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 349.25 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).