3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine

C13H7BrClFN2OS — CID 43335682

IUPAC3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)s2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H7BrClFN2OS/c14-9-5-4-8(20-9)12-11(13(17)19-18-12)10-6(15)2-1-3-7(10)16/h1-5H,17H2
InChIKeyRVVBBLOCZNTOKQ-UHFFFAOYSA-N
MW373.63 g/mol
LogP5.21
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43335682) has the molecular formula C13H7BrClFN2OS and a molecular weight of 373.63 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43335682
Molecular FormulaC13H7BrClFN2OS
Molecular Weight373.63 g/mol
Exact Mass371.91
IUPAC Name3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)s2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H7BrClFN2OS/c14-9-5-4-8(20-9)12-11(13(17)19-18-12)10-6(15)2-1-3-7(10)16/h1-5H,17H2
InChIKeyRVVBBLOCZNTOKQ-UHFFFAOYSA-N
XLogP5.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 55.21
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-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine (CID 43335682) is 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)s2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is RVVBBLOCZNTOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2OS/c14-9-5-4-8(20-9)12-11(13(17)19-18-12)10-6(15)2-1-3-7(10)16/h1-5H,17H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 373.63 g/mol, XLogP of 5.21, 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-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).