3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine

C13H12N2O2S — CID 62502226

IUPAC3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(CCc2ccco2)c1-c1cccs1
InChIInChI=1S/C13H12N2O2S/c14-13-12(11-4-2-8-18-11)10(15-17-13)6-5-9-3-1-7-16-9/h1-4,7-8H,5-6,14H2
InChIKeyCRPBGMUFWJUSBG-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine

3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62502226) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62502226
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(CCc2ccco2)c1-c1cccs1
InChIInChI=1S/C13H12N2O2S/c14-13-12(11-4-2-8-18-11)10(15-17-13)6-5-9-3-1-7-16-9/h1-4,7-8H,5-6,14H2
InChIKeyCRPBGMUFWJUSBG-UHFFFAOYSA-N
XLogP3.36
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62502226) is 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(CCc2ccco2)c1-c1cccs1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is CRPBGMUFWJUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-13-12(11-4-2-8-18-11)10(15-17-13)6-5-9-3-1-7-16-9/h1-4,7-8H,5-6,14H2.
What are the key properties of 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 260.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62502226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).