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

C20H21N3O4 — CID 110334732

IUPACN-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2nnc(-c3ccccc3OC)o2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-15-9-7-14(8-10-15)13-21-18(24)11-12-19-22-23-20(27-19)16-5-3-4-6-17(16)26-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyZOLPSOJCWDJYOA-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.00
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334732) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334732
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2nnc(-c3ccccc3OC)o2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-15-9-7-14(8-10-15)13-21-18(24)11-12-19-22-23-20(27-19)16-5-3-4-6-17(16)26-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyZOLPSOJCWDJYOA-UHFFFAOYSA-N
XLogP3.00
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
2-(4-methoxyphenyl)-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321732
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25298167
N-[(4-methoxyphenyl)methyl]-3-[5-[(R)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25298169
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
N-(2,4-difluorophenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334834
N-(5-chloro-2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334804

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334732) is N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CNC(=O)CCc2nnc(-c3ccccc3OC)o2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ZOLPSOJCWDJYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-15-9-7-14(8-10-15)13-21-18(24)11-12-19-22-23-20(27-19)16-5-3-4-6-17(16)26-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).