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

C12H8FN3OS — CID 104786017

IUPAC3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1cccs1
InChIInChI=1S/C12H8FN3OS/c13-8-4-7(5-15-6-8)11-10(12(14)17-16-11)9-2-1-3-18-9/h1-6H,14H2
InChIKeyBGMHYENHYBXWGJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.19
Rot. Bonds2

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

3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 104786017) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID104786017
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cncc(F)c2)c1-c1cccs1
InChIInChI=1S/C12H8FN3OS/c13-8-4-7(5-15-6-8)11-10(12(14)17-16-11)9-2-1-3-18-9/h1-6H,14H2
InChIKeyBGMHYENHYBXWGJ-UHFFFAOYSA-N
XLogP3.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 107972780
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
3-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62514839
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 81265627
4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 62502729
3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501048
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 104786017) is 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cncc(F)c2)c1-c1cccs1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is BGMHYENHYBXWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c13-8-4-7(5-15-6-8)11-10(12(14)17-16-11)9-2-1-3-18-9/h1-6H,14H2.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 261.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104786017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).