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

C14H19N3O3S — CID 116742262

IUPAC5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCCOC1(c2noc(-c3sc(N)cc3C)n2)CCOCC1
InChIInChI=1S/C14H19N3O3S/c1-3-19-14(4-6-18-7-5-14)13-16-12(20-17-13)11-9(2)8-10(15)21-11/h8H,3-7,15H2,1-2H3
InChIKeyVEPQHEZGKDHAJN-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.73
Rot. Bonds4

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

5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 116742262) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID116742262
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCCOC1(c2noc(-c3sc(N)cc3C)n2)CCOCC1
InChIInChI=1S/C14H19N3O3S/c1-3-19-14(4-6-18-7-5-14)13-16-12(20-17-13)11-9(2)8-10(15)21-11/h8H,3-7,15H2,1-2H3
InChIKeyVEPQHEZGKDHAJN-UHFFFAOYSA-N
XLogP2.73
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 116742262) is 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is CCOC1(c2noc(-c3sc(N)cc3C)n2)CCOCC1.
What is the InChIKey of 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is VEPQHEZGKDHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-19-14(4-6-18-7-5-14)13-16-12(20-17-13)11-9(2)8-10(15)21-11/h8H,3-7,15H2,1-2H3.
What are the key properties of 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 309.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 116742262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).