2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone

C18H14N2O2 — CID 52951687

IUPAC2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)C1Cc2ccccc2C1
InChIInChI=1S/C18H14N2O2/c21-17(14-9-12-5-1-2-6-13(12)10-14)18-20-11-16(22-18)15-7-3-4-8-19-15/h1-8,11,14H,9-10H2
InChIKeyXTTOATOQGMLZCL-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.33
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone

2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 52951687) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
PubChem CID52951687
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)C1Cc2ccccc2C1
InChIInChI=1S/C18H14N2O2/c21-17(14-9-12-5-1-2-6-13(12)10-14)18-20-11-16(22-18)15-7-3-4-8-19-15/h1-8,11,14H,9-10H2
InChIKeyXTTOATOQGMLZCL-UHFFFAOYSA-N
XLogP3.33
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 52951687) is 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccn2)o1)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is XTTOATOQGMLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17(14-9-12-5-1-2-6-13(12)10-14)18-20-11-16(22-18)15-7-3-4-8-19-15/h1-8,11,14H,9-10H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 52951687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).