1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one

C12H10N2O2 — CID 134859810

IUPAC1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one
SMILESO=C1ON2C=CC=CC2N1c1ccccc1
InChIInChI=1S/C12H10N2O2/c15-12-14(10-6-2-1-3-7-10)11-8-4-5-9-13(11)16-12/h1-9,11H
InChIKeyAEESNYVJDHSQDP-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.27
Rot. Bonds1

About 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one

1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one (PubChem CID 134859810) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one.

Molecular Properties

Compound Name1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one
PubChem CID134859810
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one
SMILESO=C1ON2C=CC=CC2N1c1ccccc1
InChIInChI=1S/C12H10N2O2/c15-12-14(10-6-2-1-3-7-10)11-8-4-5-9-13(11)16-12/h1-9,11H
InChIKeyAEESNYVJDHSQDP-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
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4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
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(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
CID 2019314
4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
CID 3253134
2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
CID 561921
2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one
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2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one
CID 86232326
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
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3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one?
The IUPAC name of 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one (CID 134859810) is 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one.
What is the SMILES notation for 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one?
The canonical SMILES for 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one is O=C1ON2C=CC=CC2N1c1ccccc1.
What is the InChIKey of 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one?
The InChIKey is AEESNYVJDHSQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12-14(10-6-2-1-3-7-10)11-8-4-5-9-13(11)16-12/h1-9,11H.
What are the key properties of 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one?
1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one has a molecular weight of 214.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one is sourced from PubChem (CID 134859810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).