7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one

C19H14N2O4 — CID 20904219

IUPAC7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
SMILESCOc1ccc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc2c1
InChIInChI=1S/C19H14N2O4/c1-11-5-3-4-6-14(11)17-20-18(25-21-17)15-9-12-7-8-13(23-2)10-16(12)24-19(15)22/h3-10H,1-2H3
InChIKeyCZYGBNRRQGIZMC-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.83
Rot. Bonds3

About 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one

7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one (PubChem CID 20904219) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
PubChem CID20904219
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
SMILESCOc1ccc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc2c1
InChIInChI=1S/C19H14N2O4/c1-11-5-3-4-6-14(11)17-20-18(25-21-17)15-9-12-7-8-13(23-2)10-16(12)24-19(15)22/h3-10H,1-2H3
InChIKeyCZYGBNRRQGIZMC-UHFFFAOYSA-N
XLogP3.83
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 22423891
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]chromen-2-one
CID 70677336
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 851433
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxychromen-2-one
CID 20904206
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 135686641
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
1-(3-methoxyphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 53135273
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one?
The IUPAC name of 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one (CID 20904219) is 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one.
What is the SMILES notation for 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one?
The canonical SMILES for 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one is COc1ccc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one?
The InChIKey is CZYGBNRRQGIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-11-5-3-4-6-14(11)17-20-18(25-21-17)15-9-12-7-8-13(23-2)10-16(12)24-19(15)22/h3-10H,1-2H3.
What are the key properties of 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one?
7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one has a molecular weight of 334.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one is sourced from PubChem (CID 20904219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).