3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C23H21N3O5 — CID 42536058

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H21N3O5/c1-14-10-22(28)30-19-12-18(29-2)16(11-17(14)19)8-9-20(27)24-13-21-25-23(26-31-21)15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,27)
InChIKeyIGCYHZIERUSIJW-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.41
Rot. Bonds7

About 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 42536058) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID42536058
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCOc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H21N3O5/c1-14-10-22(28)30-19-12-18(29-2)16(11-17(14)19)8-9-20(27)24-13-21-25-23(26-31-21)15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,27)
InChIKeyIGCYHZIERUSIJW-UHFFFAOYSA-N
XLogP3.41
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide 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

N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 71946834
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100906391
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100905721
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 42536058) is 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is IGCYHZIERUSIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-14-10-22(28)30-19-12-18(29-2)16(11-17(14)19)8-9-20(27)24-13-21-25-23(26-31-21)15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,27).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 419.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 42536058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).