3-(1,2,5-oxadiazol-3-yl)chromen-2-one

C11H6N2O3 — CID 141396662

IUPAC3-(1,2,5-oxadiazol-3-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cnon1
InChIInChI=1S/C11H6N2O3/c14-11-8(9-6-12-16-13-9)5-7-3-1-2-4-10(7)15-11/h1-6H
InChIKeyTWRWGIFERFGPJI-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.84
Rot. Bonds1

About 3-(1,2,5-oxadiazol-3-yl)chromen-2-one

3-(1,2,5-oxadiazol-3-yl)chromen-2-one (PubChem CID 141396662) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(1,2,5-oxadiazol-3-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1,2,5-oxadiazol-3-yl)chromen-2-one
PubChem CID141396662
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name3-(1,2,5-oxadiazol-3-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cnon1
InChIInChI=1S/C11H6N2O3/c14-11-8(9-6-12-16-13-9)5-7-3-1-2-4-10(7)15-11/h1-6H
InChIKeyTWRWGIFERFGPJI-UHFFFAOYSA-N
XLogP1.84
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
4-methyl-2-(2-oxochromen-3-yl)chromeno[4,3-b]pyridin-5-one
CID 987607
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one
CID 10949283
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171
3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)chromen-2-one
CID 14978368
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
3-(1-benzyltriazol-4-yl)chromen-2-one
CID 71541027

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,5-oxadiazol-3-yl)chromen-2-one?
The IUPAC name of 3-(1,2,5-oxadiazol-3-yl)chromen-2-one (CID 141396662) is 3-(1,2,5-oxadiazol-3-yl)chromen-2-one.
What is the SMILES notation for 3-(1,2,5-oxadiazol-3-yl)chromen-2-one?
The canonical SMILES for 3-(1,2,5-oxadiazol-3-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1cnon1.
What is the InChIKey of 3-(1,2,5-oxadiazol-3-yl)chromen-2-one?
The InChIKey is TWRWGIFERFGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c14-11-8(9-6-12-16-13-9)5-7-3-1-2-4-10(7)15-11/h1-6H.
What are the key properties of 3-(1,2,5-oxadiazol-3-yl)chromen-2-one?
3-(1,2,5-oxadiazol-3-yl)chromen-2-one has a molecular weight of 214.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,5-oxadiazol-3-yl)chromen-2-one is sourced from PubChem (CID 141396662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).