1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

C20H16N6O2S — CID 9336634

IUPAC1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)o1
InChIInChI=1S/C20H16N6O2S/c27-17-8-4-10-26(17)12-16-24-25-20(28-16)29-19-14-6-1-2-7-15(14)22-18(23-19)13-5-3-9-21-11-13/h1-3,5-7,9,11H,4,8,10,12H2
InChIKeyGITFSUQPJCKMMC-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.35
Rot. Bonds5

About 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 9336634) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
PubChem CID9336634
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)o1
InChIInChI=1S/C20H16N6O2S/c27-17-8-4-10-26(17)12-16-24-25-20(28-16)29-19-14-6-1-2-7-15(14)22-18(23-19)13-5-3-9-21-11-13/h1-3,5-7,9,11H,4,8,10,12H2
InChIKeyGITFSUQPJCKMMC-UHFFFAOYSA-N
XLogP3.35
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (CID 9336634) is 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)o1.
What is the InChIKey of 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is GITFSUQPJCKMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c27-17-8-4-10-26(17)12-16-24-25-20(28-16)29-19-14-6-1-2-7-15(14)22-18(23-19)13-5-3-9-21-11-13/h1-3,5-7,9,11H,4,8,10,12H2.
What are the key properties of 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 404.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 9336634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).