2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C21H25N3O5 — CID 171910820

IUPAC2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCCCc1noc(CN(C)C(=O)C(C)Oc2ccc3c(C)c(C)c(=O)oc3c2)n1
InChIInChI=1S/C21H25N3O5/c1-6-7-18-22-19(29-23-18)11-24(5)20(25)14(4)27-15-8-9-16-12(2)13(3)21(26)28-17(16)10-15/h8-10,14H,6-7,11H2,1-5H3
InChIKeyWPHMSHBZSHXQTN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.17
Rot. Bonds7

About 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 171910820) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID171910820
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCCCc1noc(CN(C)C(=O)C(C)Oc2ccc3c(C)c(C)c(=O)oc3c2)n1
InChIInChI=1S/C21H25N3O5/c1-6-7-18-22-19(29-23-18)11-24(5)20(25)14(4)27-15-8-9-16-12(2)13(3)21(26)28-17(16)10-15/h8-10,14H,6-7,11H2,1-5H3
InChIKeyWPHMSHBZSHXQTN-UHFFFAOYSA-N
XLogP3.17
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 171907889
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171907768
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 171389849
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 95212791
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171911753
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171915051
2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxypropanoic acid
CID 3645981
(2R)-2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxypropanoic acid
CID 701615
N-[3-(dimethylamino)propyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanamide
CID 4908121
(2S)-2-(3,5-dimethylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267542
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide
CID 171388957
(2S)-2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8894962

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 171910820) is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CCCc1noc(CN(C)C(=O)C(C)Oc2ccc3c(C)c(C)c(=O)oc3c2)n1.
What is the InChIKey of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is WPHMSHBZSHXQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-6-7-18-22-19(29-23-18)11-24(5)20(25)14(4)27-15-8-9-16-12(2)13(3)21(26)28-17(16)10-15/h8-10,14H,6-7,11H2,1-5H3.
What are the key properties of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 399.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 171910820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).