1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone

C20H18N4O2S — CID 31043650

IUPAC1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
SMILESCCc1nnc(Cn2ccc(-c3cccc(-c4ccc(C(C)=O)s4)c3)n2)o1
InChIInChI=1S/C20H18N4O2S/c1-3-19-21-22-20(26-19)12-24-10-9-16(23-24)14-5-4-6-15(11-14)18-8-7-17(27-18)13(2)25/h4-11H,3,12H2,1-2H3
InChIKeyOFDVCJUPWKWNDX-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.47
Rot. Bonds6

About 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone

1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone (PubChem CID 31043650) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
PubChem CID31043650
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
SMILESCCc1nnc(Cn2ccc(-c3cccc(-c4ccc(C(C)=O)s4)c3)n2)o1
InChIInChI=1S/C20H18N4O2S/c1-3-19-21-22-20(26-19)12-24-10-9-16(23-24)14-5-4-6-15(11-14)18-8-7-17(27-18)13(2)25/h4-11H,3,12H2,1-2H3
InChIKeyOFDVCJUPWKWNDX-UHFFFAOYSA-N
XLogP4.47
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone (CID 31043650) is 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone is CCc1nnc(Cn2ccc(-c3cccc(-c4ccc(C(C)=O)s4)c3)n2)o1.
What is the InChIKey of 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone?
The InChIKey is OFDVCJUPWKWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-19-21-22-20(26-19)12-24-10-9-16(23-24)14-5-4-6-15(11-14)18-8-7-17(27-18)13(2)25/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone?
1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone has a molecular weight of 378.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 31043650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).