1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H14N2O3S — CID 63345709

IUPAC1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOCC(O)Cc1nc(Cc2cccs2)no1
InChIInChI=1S/C11H14N2O3S/c1-15-7-8(14)5-11-12-10(13-16-11)6-9-3-2-4-17-9/h2-4,8,14H,5-7H2,1H3
InChIKeyIPQISURJNLGCTO-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.27
Rot. Bonds6

About 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 63345709) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID63345709
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOCC(O)Cc1nc(Cc2cccs2)no1
InChIInChI=1S/C11H14N2O3S/c1-15-7-8(14)5-11-12-10(13-16-11)6-9-3-2-4-17-9/h2-4,8,14H,5-7H2,1H3
InChIKeyIPQISURJNLGCTO-UHFFFAOYSA-N
XLogP1.27
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 63345709) is 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is COCC(O)Cc1nc(Cc2cccs2)no1.
What is the InChIKey of 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is IPQISURJNLGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-15-7-8(14)5-11-12-10(13-16-11)6-9-3-2-4-17-9/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 254.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 63345709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).