5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one

C15H10N2O3 — CID 2727381

IUPAC5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2c3ccccc3Oc3ccccc32)o1
InChIInChI=1S/C15H10N2O3/c18-15-17-16-14(20-15)13-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,13H,(H,17,18)
InChIKeyFCKSJNBVCBGASY-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.65
Rot. Bonds1

About 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one

5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 2727381) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID2727381
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2c3ccccc3Oc3ccccc32)o1
InChIInChI=1S/C15H10N2O3/c18-15-17-16-14(20-15)13-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,13H,(H,17,18)
InChIKeyFCKSJNBVCBGASY-UHFFFAOYSA-N
XLogP2.65
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one (CID 2727381) is 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(C2c3ccccc3Oc3ccccc32)o1.
What is the InChIKey of 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is FCKSJNBVCBGASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-17-16-14(20-15)13-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,13H,(H,17,18).
What are the key properties of 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one?
5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 266.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-xanthen-9-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).