3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one

C15H11N5O5 — CID 20904324

IUPAC3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(-c3nc(-c4nonc4N)no3)c(=O)oc12
InChIInChI=1S/C15H11N5O5/c1-2-22-9-5-3-4-7-6-8(15(21)23-11(7)9)14-17-13(20-24-14)10-12(16)19-25-18-10/h3-6H,2H2,1H3,(H2,16,19)
InChIKeyCGIYHMQHLNQARN-UHFFFAOYSA-N
MW341.28 g/mol
LogP1.87
Rot. Bonds4

About 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one

3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one (PubChem CID 20904324) has the molecular formula C15H11N5O5 and a molecular weight of 341.28 g/mol. Its IUPAC name is 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one.

Molecular Properties

Compound Name3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one
PubChem CID20904324
Molecular FormulaC15H11N5O5
Molecular Weight341.28 g/mol
Exact Mass341.08
IUPAC Name3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(-c3nc(-c4nonc4N)no3)c(=O)oc12
InChIInChI=1S/C15H11N5O5/c1-2-22-9-5-3-4-7-6-8(15(21)23-11(7)9)14-17-13(20-24-14)10-12(16)19-25-18-10/h3-6H,2H2,1H3,(H2,16,19)
InChIKeyCGIYHMQHLNQARN-UHFFFAOYSA-N
XLogP1.87
TPSA143.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452
methyl 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-2-oxochromene-6-carboxylate
CID 20904331
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-8-phenylmethoxychromen-2-one
CID 22424784
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methoxychromen-2-one
CID 20904244
3-(1,3-benzothiazol-2-yl)-8-ethoxychromen-2-one
CID 934492
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
8-ethoxy-2-oxochromene-3-sulfonamide
CID 164628509
8-ethoxy-3-(6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 3240765
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxychromen-2-one
CID 20904234
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
3-acetyl-8-ethoxychromen-2-one
CID 3266617
4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one?
The IUPAC name of 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one (CID 20904324) is 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one.
What is the SMILES notation for 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one?
The canonical SMILES for 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one is CCOc1cccc2cc(-c3nc(-c4nonc4N)no3)c(=O)oc12.
What is the InChIKey of 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one?
The InChIKey is CGIYHMQHLNQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O5/c1-2-22-9-5-3-4-7-6-8(15(21)23-11(7)9)14-17-13(20-24-14)10-12(16)19-25-18-10/h3-6H,2H2,1H3,(H2,16,19).
What are the key properties of 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one?
3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one has a molecular weight of 341.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one is sourced from PubChem (CID 20904324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).