6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one

C20H15ClN2O5 — CID 30559627

IUPAC6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1cccc(-c2noc(COc3cc4oc(=O)cc(C)c4cc3Cl)n2)c1
InChIInChI=1S/C20H15ClN2O5/c1-11-6-19(24)27-16-9-17(15(21)8-14(11)16)26-10-18-22-20(23-28-18)12-4-3-5-13(7-12)25-2/h3-9H,10H2,1-2H3
InChIKeyRAPJUBDIBZKQDE-UHFFFAOYSA-N
MW398.80 g/mol
LogP4.39
Rot. Bonds5

About 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one

6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one (PubChem CID 30559627) has the molecular formula C20H15ClN2O5 and a molecular weight of 398.80 g/mol. Its IUPAC name is 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
PubChem CID30559627
Molecular FormulaC20H15ClN2O5
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC Name6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1cccc(-c2noc(COc3cc4oc(=O)cc(C)c4cc3Cl)n2)c1
InChIInChI=1S/C20H15ClN2O5/c1-11-6-19(24)27-16-9-17(15(21)8-14(11)16)26-10-18-22-20(23-28-18)12-4-3-5-13(7-12)25-2/h3-9H,10H2,1-2H3
InChIKeyRAPJUBDIBZKQDE-UHFFFAOYSA-N
XLogP4.39
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-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

6-chloro-7-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-methylchromen-2-one
CID 38896838
methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
CID 55376476
6-chloro-4-phenyl-7-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18208845
6-chloro-4-methyl-7-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]chromen-2-one
CID 39527648
4-methyl-7-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy]chromen-2-one
CID 46685912
6-chloro-4-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
CID 38896678
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 6461904
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
CID 2913583
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one (CID 30559627) is 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one is COc1cccc(-c2noc(COc3cc4oc(=O)cc(C)c4cc3Cl)n2)c1.
What is the InChIKey of 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The InChIKey is RAPJUBDIBZKQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5/c1-11-6-19(24)27-16-9-17(15(21)8-14(11)16)26-10-18-22-20(23-28-18)12-4-3-5-13(7-12)25-2/h3-9H,10H2,1-2H3.
What are the key properties of 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one has a molecular weight of 398.80 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 30559627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).