5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine

C16H11N3OS — CID 66199377

IUPAC5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc3cccnc23)c1-c1cccs1
InChIInChI=1S/C16H11N3OS/c17-16-13(12-7-3-9-21-12)15(20-19-16)11-6-1-4-10-5-2-8-18-14(10)11/h1-9H,(H2,17,19)
InChIKeyGMZPMGMVDXBCJP-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.20
Rot. Bonds2

About 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine

5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66199377) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66199377
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc3cccnc23)c1-c1cccs1
InChIInChI=1S/C16H11N3OS/c17-16-13(12-7-3-9-21-12)15(20-19-16)11-6-1-4-10-5-2-8-18-14(10)11/h1-9H,(H2,17,19)
InChIKeyGMZPMGMVDXBCJP-UHFFFAOYSA-N
XLogP4.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66199377) is 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccc3cccnc23)c1-c1cccs1.
What is the InChIKey of 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is GMZPMGMVDXBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-16-13(12-7-3-9-21-12)15(20-19-16)11-6-1-4-10-5-2-8-18-14(10)11/h1-9H,(H2,17,19).
What are the key properties of 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 293.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-yl-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).