3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide

C20H20ClN3O3 — CID 110334494

IUPAC3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C20H20ClN3O3/c1-26-15-6-4-5-14(13-15)11-12-22-18(25)9-10-19-23-24-20(27-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyPXJGYPOKJAESGY-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.69
Rot. Bonds8

About 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 110334494) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID110334494
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C20H20ClN3O3/c1-26-15-6-4-5-14(13-15)11-12-22-18(25)9-10-19-23-24-20(27-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyPXJGYPOKJAESGY-UHFFFAOYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 24791038
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide
CID 42344834
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334527
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 110334494) is 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCc2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is PXJGYPOKJAESGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-26-15-6-4-5-14(13-15)11-12-22-18(25)9-10-19-23-24-20(27-19)16-7-2-3-8-17(16)21/h2-8,13H,9-12H2,1H3,(H,22,25).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 385.85 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110334494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).