4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine

C12H9N3OS — CID 80525813

IUPAC4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccs2)c1-c1ccncc1
InChIInChI=1S/C12H9N3OS/c13-12-10(8-3-5-14-6-4-8)11(16-15-12)9-2-1-7-17-9/h1-7H,(H2,13,15)
InChIKeyWIPWQYNAVYIOLG-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.05
Rot. Bonds2

About 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine

4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 80525813) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID80525813
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccs2)c1-c1ccncc1
InChIInChI=1S/C12H9N3OS/c13-12-10(8-3-5-14-6-4-8)11(16-15-12)9-2-1-7-17-9/h1-7H,(H2,13,15)
InChIKeyWIPWQYNAVYIOLG-UHFFFAOYSA-N
XLogP3.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66203231
5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525497
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200386
5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 103407055
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine (CID 80525813) is 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccs2)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is WIPWQYNAVYIOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12-10(8-3-5-14-6-4-8)11(16-15-12)9-2-1-7-17-9/h1-7H,(H2,13,15).
What are the key properties of 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine?
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 243.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).