4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol

C16H16N2O2S — CID 143295717

IUPAC4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1sc(C2=NC(c3ccc(O)cc3)NO2)c2c1CCC2
InChIInChI=1S/C16H16N2O2S/c1-9-12-3-2-4-13(12)14(21-9)16-17-15(18-20-16)10-5-7-11(19)8-6-10/h5-8,15,18-19H,2-4H2,1H3
InChIKeyIOYKWRHHGUXCDH-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.23
Rot. Bonds2

About 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol

4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 143295717) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol
PubChem CID143295717
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1sc(C2=NC(c3ccc(O)cc3)NO2)c2c1CCC2
InChIInChI=1S/C16H16N2O2S/c1-9-12-3-2-4-13(12)14(21-9)16-17-15(18-20-16)10-5-7-11(19)8-6-10/h5-8,15,18-19H,2-4H2,1H3
InChIKeyIOYKWRHHGUXCDH-UHFFFAOYSA-N
XLogP3.23
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol (CID 143295717) is 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol is Cc1sc(C2=NC(c3ccc(O)cc3)NO2)c2c1CCC2.
What is the InChIKey of 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is IOYKWRHHGUXCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-12-3-2-4-13(12)14(21-9)16-17-15(18-20-16)10-5-7-11(19)8-6-10/h5-8,15,18-19H,2-4H2,1H3.
What are the key properties of 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 300.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 143295717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).