carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone

C25H18N2O4 — CID 158701287

IUPACcarbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)C1Cc2ccc(-c3ccccc3)cc2C1.O=C=O
InChIInChI=1S/C24H18N2O2.CO2/c27-23(24-26-15-22(28-24)21-8-4-5-11-25-21)20-13-18-10-9-17(12-19(18)14-20)16-6-2-1-3-7-16;2-1-3/h1-12,15,20H,13-14H2;
InChIKeyIHOQHLXCCYZTEA-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.42
Rot. Bonds4

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

carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (PubChem CID 158701287) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Namecarbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
PubChem CID158701287
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Namecarbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccn2)o1)C1Cc2ccc(-c3ccccc3)cc2C1.O=C=O
InChIInChI=1S/C24H18N2O2.CO2/c27-23(24-26-15-22(28-24)21-8-4-5-11-25-21)20-13-18-10-9-17(12-19(18)14-20)16-6-2-1-3-7-16;2-1-3/h1-12,15,20H,13-14H2;
InChIKeyIHOQHLXCCYZTEA-UHFFFAOYSA-N
XLogP4.42
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The IUPAC name of carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone (CID 158701287) is carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccn2)o1)C1Cc2ccc(-c3ccccc3)cc2C1.O=C=O.
What is the InChIKey of carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
The InChIKey is IHOQHLXCCYZTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2.CO2/c27-23(24-26-15-22(28-24)21-8-4-5-11-25-21)20-13-18-10-9-17(12-19(18)14-20)16-6-2-1-3-7-16;2-1-3/h1-12,15,20H,13-14H2;.
What are the key properties of carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone?
carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone has a molecular weight of 410.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(5-phenyl-2,3-dihydro-1H-inden-2-yl)-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 158701287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).