3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C14H13N5O3S — CID 86771273

IUPAC3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESCn1cc(N2CCC(n3nc(-c4cccs4)oc3=O)C2=O)cn1
InChIInChI=1S/C14H13N5O3S/c1-17-8-9(7-15-17)18-5-4-10(13(18)20)19-14(21)22-12(16-19)11-3-2-6-23-11/h2-3,6-8,10H,4-5H2,1H3
InChIKeyXRWYSPUROLKNMD-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.28
Rot. Bonds3

About 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 86771273) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID86771273
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESCn1cc(N2CCC(n3nc(-c4cccs4)oc3=O)C2=O)cn1
InChIInChI=1S/C14H13N5O3S/c1-17-8-9(7-15-17)18-5-4-10(13(18)20)19-14(21)22-12(16-19)11-3-2-6-23-11/h2-3,6-8,10H,4-5H2,1H3
InChIKeyXRWYSPUROLKNMD-UHFFFAOYSA-N
XLogP1.28
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 86771273) is 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is Cn1cc(N2CCC(n3nc(-c4cccs4)oc3=O)C2=O)cn1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is XRWYSPUROLKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-17-8-9(7-15-17)18-5-4-10(13(18)20)19-14(21)22-12(16-19)11-3-2-6-23-11/h2-3,6-8,10H,4-5H2,1H3.
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 331.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 86771273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).