5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one

C7H6N2O3S — CID 81128699

IUPAC5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccsc1-c1n[nH]c(=O)o1
InChIInChI=1S/C7H6N2O3S/c1-11-4-2-3-13-5(4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10)
InChIKeySUNBQSIHYXBEQR-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.10
Rot. Bonds2

About 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one

5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 81128699) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID81128699
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccsc1-c1n[nH]c(=O)o1
InChIInChI=1S/C7H6N2O3S/c1-11-4-2-3-13-5(4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10)
InChIKeySUNBQSIHYXBEQR-UHFFFAOYSA-N
XLogP1.10
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one (CID 81128699) is 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one is COc1ccsc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SUNBQSIHYXBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c1-11-4-2-3-13-5(4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10).
What are the key properties of 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one?
5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 198.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 81128699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).