methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate

C20H14ClN3O5 — CID 71794632

IUPACmethyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cccc(-c3nc(-c4ccccc4Cl)no3)c2=O)o1
InChIInChI=1S/C20H14ClN3O5/c1-27-20(26)16-9-8-12(28-16)11-24-10-4-6-14(19(24)25)18-22-17(23-29-18)13-5-2-3-7-15(13)21/h2-10H,11H2,1H3
InChIKeyDKRRIUWWBICJMA-UHFFFAOYSA-N
MW411.80 g/mol
LogP3.65
Rot. Bonds5

About methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate

methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate (PubChem CID 71794632) has the molecular formula C20H14ClN3O5 and a molecular weight of 411.80 g/mol. Its IUPAC name is methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate
PubChem CID71794632
Molecular FormulaC20H14ClN3O5
Molecular Weight411.80 g/mol
Exact Mass411.06
IUPAC Namemethyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cccc(-c3nc(-c4ccccc4Cl)no3)c2=O)o1
InChIInChI=1S/C20H14ClN3O5/c1-27-20(26)16-9-8-12(28-16)11-24-10-4-6-14(19(24)25)18-22-17(23-29-18)13-5-2-3-7-15(13)21/h2-10H,11H2,1H3
InChIKeyDKRRIUWWBICJMA-UHFFFAOYSA-N
XLogP3.65
TPSA100.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate 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

methyl 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 19657942
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794585
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 30849110
methyl 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-2-carboxylate
CID 75526657
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
CID 53100904
2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51695550
(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 134024410
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 30849405
N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373576

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate (CID 71794632) is methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cccc(-c3nc(-c4ccccc4Cl)no3)c2=O)o1.
What is the InChIKey of methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate?
The InChIKey is DKRRIUWWBICJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O5/c1-27-20(26)16-9-8-12(28-16)11-24-10-4-6-14(19(24)25)18-22-17(23-29-18)13-5-2-3-7-15(13)21/h2-10H,11H2,1H3.
What are the key properties of methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate?
methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate has a molecular weight of 411.80 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 71794632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).