4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C11H13N3O2S — CID 66249151

IUPAC4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC1(c2nc(-c3ccsc3)no2)COCC1N
InChIInChI=1S/C11H13N3O2S/c1-11(6-15-4-8(11)12)10-13-9(14-16-10)7-2-3-17-5-7/h2-3,5,8H,4,6,12H2,1H3
InChIKeyKFPDVZGLCHCVRM-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.41
Rot. Bonds2

About 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 66249151) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID66249151
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC1(c2nc(-c3ccsc3)no2)COCC1N
InChIInChI=1S/C11H13N3O2S/c1-11(6-15-4-8(11)12)10-13-9(14-16-10)7-2-3-17-5-7/h2-3,5,8H,4,6,12H2,1H3
InChIKeyKFPDVZGLCHCVRM-UHFFFAOYSA-N
XLogP1.41
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 66249151) is 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CC1(c2nc(-c3ccsc3)no2)COCC1N.
What is the InChIKey of 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is KFPDVZGLCHCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-11(6-15-4-8(11)12)10-13-9(14-16-10)7-2-3-17-5-7/h2-3,5,8H,4,6,12H2,1H3.
What are the key properties of 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66249151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).