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

C12H9N3OS — CID 62500884

IUPAC3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccncc2)c1-c1cccs1
InChIInChI=1S/C12H9N3OS/c13-12-10(9-2-1-7-17-9)11(15-16-12)8-3-5-14-6-4-8/h1-7H,13H2
InChIKeyQNYDXLOEFCSZFI-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.05
Rot. Bonds2

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

3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62500884) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62500884
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccncc2)c1-c1cccs1
InChIInChI=1S/C12H9N3OS/c13-12-10(9-2-1-7-17-9)11(15-16-12)8-3-5-14-6-4-8/h1-7H,13H2
InChIKeyQNYDXLOEFCSZFI-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

N-(pyridin-3-ylmethyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239163
N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122190963
4-(4-Fluorophenyl)-3-pyridin-4-yl-1,2-oxazol-5-amine
CID 33784113
(3-Methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 47041435
N-(2-pyridin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 60167619
N-(pyridin-3-ylmethyl)-4-(5-thiophen-2-yl-1,2-oxazol-3-yl)aniline
CID 177648712
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16260644
4-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-5-pyridin-3-ylthiophen-3-yl)cyclopenten-1-yl]-3,5-dimethyl-1,2-oxazole
CID 101564475
4-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-5-pyridin-4-ylthiophen-3-yl)cyclopenten-1-yl]-3,5-dimethyl-1,2-oxazole
CID 101564476
4-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-5-pyridin-2-ylthiophen-3-yl)cyclopenten-1-yl]-3,5-dimethyl-1,2-oxazole
CID 101564477
N-[3-(Pyridin-2-YL)-1,2-oxazol-5-YL]thiophene-2-carboxamide
CID 53143108
3,5-dimethyl-N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)isoxazole-4-carboxamide
CID 76151108

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62500884) is 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccncc2)c1-c1cccs1.
What is the InChIKey of 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is QNYDXLOEFCSZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12-10(9-2-1-7-17-9)11(15-16-12)8-3-5-14-6-4-8/h1-7H,13H2.
What are the key properties of 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-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 3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62500884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).