3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine

C13H7BrF2N2OS — CID 61496437

IUPAC3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)s2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H7BrF2N2OS/c14-10-2-1-9(20-10)12-11(13(17)19-18-12)6-3-7(15)5-8(16)4-6/h1-5H,17H2
InChIKeyGLXNPTSHFPDSPU-UHFFFAOYSA-N
MW357.18 g/mol
LogP4.69
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 61496437) has the molecular formula C13H7BrF2N2OS and a molecular weight of 357.18 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID61496437
Molecular FormulaC13H7BrF2N2OS
Molecular Weight357.18 g/mol
Exact Mass355.94
IUPAC Name3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)s2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H7BrF2N2OS/c14-10-2-1-9(20-10)12-11(13(17)19-18-12)6-3-7(15)5-8(16)4-6/h1-5H,17H2
InChIKeyGLXNPTSHFPDSPU-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine (CID 61496437) is 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)s2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is GLXNPTSHFPDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2OS/c14-10-2-1-9(20-10)12-11(13(17)19-18-12)6-3-7(15)5-8(16)4-6/h1-5H,17H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 357.18 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61496437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).