4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

C12H15N3O2S — CID 113280371

IUPAC4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCc1cscc1-c1noc(C2(N)CCOCC2)n1
InChIInChI=1S/C12H15N3O2S/c1-8-6-18-7-9(8)10-14-11(17-15-10)12(13)2-4-16-5-3-12/h6-7H,2-5,13H2,1H3
InChIKeyDCMUFHOTJYWYAM-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.07
Rot. Bonds2

About 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 113280371) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID113280371
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCc1cscc1-c1noc(C2(N)CCOCC2)n1
InChIInChI=1S/C12H15N3O2S/c1-8-6-18-7-9(8)10-14-11(17-15-10)12(13)2-4-16-5-3-12/h6-7H,2-5,13H2,1H3
InChIKeyDCMUFHOTJYWYAM-UHFFFAOYSA-N
XLogP2.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 113280371) is 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is Cc1cscc1-c1noc(C2(N)CCOCC2)n1.
What is the InChIKey of 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is DCMUFHOTJYWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-6-18-7-9(8)10-14-11(17-15-10)12(13)2-4-16-5-3-12/h6-7H,2-5,13H2,1H3.
What are the key properties of 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 265.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 113280371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).