5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C14H11BrN2OS — CID 107984276

IUPAC5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2cccs2)c1Br
InChIInChI=1S/C14H11BrN2OS/c1-8-4-2-5-9(12(8)15)13-11(14(16)17-18-13)10-6-3-7-19-10/h2-7H,1H3,(H2,16,17)
InChIKeyOHOGJQCYVGMFPS-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.72
Rot. Bonds2

About 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 107984276) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID107984276
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2cccs2)c1Br
InChIInChI=1S/C14H11BrN2OS/c1-8-4-2-5-9(12(8)15)13-11(14(16)17-18-13)10-6-3-7-19-10/h2-7H,1H3,(H2,16,17)
InChIKeyOHOGJQCYVGMFPS-UHFFFAOYSA-N
XLogP4.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198589
5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199377
5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66197989
5-(2,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199984
5-(5-methyl-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198588
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367
2-(2,6-dimethylphenyl)thiophene
CID 58838883
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 107984276) is 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Cc1cccc(-c2onc(N)c2-c2cccs2)c1Br.
What is the InChIKey of 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is OHOGJQCYVGMFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-8-4-2-5-9(12(8)15)13-11(14(16)17-18-13)10-6-3-7-19-10/h2-7H,1H3,(H2,16,17).
What are the key properties of 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 335.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 107984276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).