3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one

C16H13N3O2 — CID 157156676

IUPAC3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)C(c1cccnc1)=NC2
InChIInChI=1S/C16H13N3O2/c20-16-19(6-7-21-16)13-4-3-11-10-18-15(14(11)8-13)12-2-1-5-17-9-12/h1-5,8-9H,6-7,10H2
InChIKeyALWTUVZVMDQFQT-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.39
Rot. Bonds2

About 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one

3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 157156676) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one
PubChem CID157156676
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)C(c1cccnc1)=NC2
InChIInChI=1S/C16H13N3O2/c20-16-19(6-7-21-16)13-4-3-11-10-18-15(14(11)8-13)12-2-1-5-17-9-12/h1-5,8-9H,6-7,10H2
InChIKeyALWTUVZVMDQFQT-UHFFFAOYSA-N
XLogP2.39
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one (CID 157156676) is 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc2c(c1)C(c1cccnc1)=NC2.
What is the InChIKey of 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is ALWTUVZVMDQFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16-19(6-7-21-16)13-4-3-11-10-18-15(14(11)8-13)12-2-1-5-17-9-12/h1-5,8-9H,6-7,10H2.
What are the key properties of 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one?
3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 279.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1H-isoindol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 157156676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).