7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one

C15H15N3O3 — CID 10708251

IUPAC7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nnco3)c(=O)oc2c1
InChIInChI=1S/C15H15N3O3/c1-3-18(4-2)11-6-5-10-7-12(14-17-16-9-20-14)15(19)21-13(10)8-11/h5-9H,3-4H2,1-2H3
InChIKeyIHONXOYAQQTZEO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.69
Rot. Bonds4

About 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one

7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one (PubChem CID 10708251) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
PubChem CID10708251
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nnco3)c(=O)oc2c1
InChIInChI=1S/C15H15N3O3/c1-3-18(4-2)11-6-5-10-7-12(14-17-16-9-20-14)15(19)21-13(10)8-11/h5-9H,3-4H2,1-2H3
InChIKeyIHONXOYAQQTZEO-UHFFFAOYSA-N
XLogP2.69
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 10519425
4-[7-(diethylamino)-2-oxochromen-3-yl]benzonitrile
CID 19090609
7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 23987338
7-(diethylamino)-3-pyridin-1-ium-4-ylchromen-2-one;ethane
CID 142382157
7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
CID 71659817
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
CID 13126342
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
7-(diethylamino)-3-(3-methylphenyl)chromen-2-one
CID 87585315
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
3-(3-chlorophenyl)-7-(diethylamino)chromen-2-one
CID 3518661
7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
CID 169224187

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one (CID 10708251) is 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one is CCN(CC)c1ccc2cc(-c3nnco3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one?
The InChIKey is IHONXOYAQQTZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-18(4-2)11-6-5-10-7-12(14-17-16-9-20-14)15(19)21-13(10)8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one?
7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one is sourced from PubChem (CID 10708251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).