2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C20H17N5O4 — CID 46270747

IUPAC2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2nc3cccnc3o2)CC1
InChIInChI=1S/C20H17N5O4/c26-16(12-25-18(27)13-4-1-2-5-14(13)19(25)28)23-8-10-24(11-9-23)20-22-15-6-3-7-21-17(15)29-20/h1-7H,8-12H2
InChIKeyUZUOBCWBYCJUSV-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.17
Rot. Bonds3

About 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 46270747) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID46270747
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2nc3cccnc3o2)CC1
InChIInChI=1S/C20H17N5O4/c26-16(12-25-18(27)13-4-1-2-5-14(13)19(25)28)23-8-10-24(11-9-23)20-22-15-6-3-7-21-17(15)29-20/h1-7H,8-12H2
InChIKeyUZUOBCWBYCJUSV-UHFFFAOYSA-N
XLogP1.17
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 46270747) is 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2nc3cccnc3o2)CC1.
What is the InChIKey of 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is UZUOBCWBYCJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c26-16(12-25-18(27)13-4-1-2-5-14(13)19(25)28)23-8-10-24(11-9-23)20-22-15-6-3-7-21-17(15)29-20/h1-7H,8-12H2.
What are the key properties of 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 391.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 46270747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).