2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione

C21H17N3O3 — CID 166761003

IUPAC2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESC[C@@H](c1cc(-c2ccnc(C3CC3)c2)no1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H17N3O3/c1-12(24-20(25)15-4-2-3-5-16(15)21(24)26)19-11-18(23-27-19)14-8-9-22-17(10-14)13-6-7-13/h2-5,8-13H,6-7H2,1H3/t12-/m0/s1
InChIKeyBHLXZVMEGJFZJI-LBPRGKRZSA-N
MW359.39 g/mol
LogP3.97
Rot. Bonds4

About 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione

2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 166761003) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID166761003
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESC[C@@H](c1cc(-c2ccnc(C3CC3)c2)no1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H17N3O3/c1-12(24-20(25)15-4-2-3-5-16(15)21(24)26)19-11-18(23-27-19)14-8-9-22-17(10-14)13-6-7-13/h2-5,8-13H,6-7H2,1H3/t12-/m0/s1
InChIKeyBHLXZVMEGJFZJI-LBPRGKRZSA-N
XLogP3.97
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (CID 166761003) is 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is C[C@@H](c1cc(-c2ccnc(C3CC3)c2)no1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is BHLXZVMEGJFZJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-12(24-20(25)15-4-2-3-5-16(15)21(24)26)19-11-18(23-27-19)14-8-9-22-17(10-14)13-6-7-13/h2-5,8-13H,6-7H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 359.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 166761003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).