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

C13H8F2N2OS — CID 66203231

IUPAC4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccs2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H8F2N2OS/c14-8-4-7(5-9(15)6-8)11-12(18-17-13(11)16)10-2-1-3-19-10/h1-6H,(H2,16,17)
InChIKeyZLQYAMAYUXYMJS-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.93
Rot. Bonds2

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

4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66203231) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66203231
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccs2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H8F2N2OS/c14-8-4-7(5-9(15)6-8)11-12(18-17-13(11)16)10-2-1-3-19-10/h1-6H,(H2,16,17)
InChIKeyZLQYAMAYUXYMJS-UHFFFAOYSA-N
XLogP3.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 66202073
4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 79975298
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
5-(2,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199984
5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200386
5-(4,5-dibromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 80537331
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1,2-oxazol-3-amine
CID 66201880
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (CID 66203231) is 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccs2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is ZLQYAMAYUXYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-8-4-7(5-9(15)6-8)11-12(18-17-13(11)16)10-2-1-3-19-10/h1-6H,(H2,16,17).
What are the key properties of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 278.28 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66203231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).