(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

C20H19ClN2O4 — CID 46660052

IUPAC(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCOc1ccc(Cl)cc1COC(=O)CCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C20H19ClN2O4/c1-13-3-5-14(6-4-13)20-23-22-18(27-20)9-10-19(24)26-12-15-11-16(21)7-8-17(15)25-2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFLONDKYOFVLMMI-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.38
Rot. Bonds7

About (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (PubChem CID 46660052) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
PubChem CID46660052
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCOc1ccc(Cl)cc1COC(=O)CCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C20H19ClN2O4/c1-13-3-5-14(6-4-13)20-23-22-18(27-20)9-10-19(24)26-12-15-11-16(21)7-8-17(15)25-2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFLONDKYOFVLMMI-UHFFFAOYSA-N
XLogP4.38
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate 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

2-(2,4-dichlorophenoxy)ethyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46685633
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110334614
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
(5-acetyl-2-methoxyphenyl)methyl 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46671831
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55730775
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-methylphenyl)-4-oxobutanoate
CID 45352813
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 35779307
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (CID 46660052) is (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is COc1ccc(Cl)cc1COC(=O)CCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The InChIKey is FLONDKYOFVLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13-3-5-14(6-4-13)20-23-22-18(27-20)9-10-19(24)26-12-15-11-16(21)7-8-17(15)25-2/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate has a molecular weight of 386.84 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is sourced from PubChem (CID 46660052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).