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

C12H10N2O2S — CID 66198188

IUPAC5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1occc1-c1onc(N)c1-c1cccs1
InChIInChI=1S/C12H10N2O2S/c1-7-8(4-5-15-7)11-10(12(13)14-16-11)9-3-2-6-17-9/h2-6H,1H3,(H2,13,14)
InChIKeyWUBJZQSZKOVTMA-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.55
Rot. Bonds2

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

5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66198188) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66198188
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1occc1-c1onc(N)c1-c1cccs1
InChIInChI=1S/C12H10N2O2S/c1-7-8(4-5-15-7)11-10(12(13)14-16-11)9-3-2-6-17-9/h2-6H,1H3,(H2,13,14)
InChIKeyWUBJZQSZKOVTMA-UHFFFAOYSA-N
XLogP3.55
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66198188) is 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Cc1occc1-c1onc(N)c1-c1cccs1.
What is the InChIKey of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is WUBJZQSZKOVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-7-8(4-5-15-7)11-10(12(13)14-16-11)9-3-2-6-17-9/h2-6H,1H3,(H2,13,14).
What are the key properties of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 246.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).