[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone

C17H13N3O2 — CID 53015001

IUPAC[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCc2cc(-c3ccno3)ccc21
InChIInChI=1S/C17H13N3O2/c21-17(14-3-1-2-8-18-14)20-10-7-12-11-13(4-5-15(12)20)16-6-9-19-22-16/h1-6,8-9,11H,7,10H2
InChIKeyWLDRZNZCUCVDIW-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.94
Rot. Bonds2

About [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone

[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone (PubChem CID 53015001) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone
PubChem CID53015001
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCc2cc(-c3ccno3)ccc21
InChIInChI=1S/C17H13N3O2/c21-17(14-3-1-2-8-18-14)20-10-7-12-11-13(4-5-15(12)20)16-6-9-19-22-16/h1-6,8-9,11H,7,10H2
InChIKeyWLDRZNZCUCVDIW-UHFFFAOYSA-N
XLogP2.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone (CID 53015001) is [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCc2cc(-c3ccno3)ccc21.
What is the InChIKey of [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone?
The InChIKey is WLDRZNZCUCVDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(14-3-1-2-8-18-14)20-10-7-12-11-13(4-5-15(12)20)16-6-9-19-22-16/h1-6,8-9,11H,7,10H2.
What are the key properties of [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone?
[5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone has a molecular weight of 291.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,2-oxazol-5-yl)-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53015001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).