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

C20H21N3O3 — CID 43017189

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H21N3O3/c1-14(16-10-6-7-11-17(16)25-2)21-18(24)12-13-19-22-23-20(26-19)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyHTERRVHXGJKKLM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.56
Rot. Bonds7

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

N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 43017189) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID43017189
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H21N3O3/c1-14(16-10-6-7-11-17(16)25-2)21-18(24)12-13-19-22-23-20(26-19)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyHTERRVHXGJKKLM-UHFFFAOYSA-N
XLogP3.56
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43019781
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55686944
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
N-[1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 42960615
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39715287
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 43017189) is N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is COc1ccccc1C(C)NC(=O)CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is HTERRVHXGJKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(16-10-6-7-11-17(16)25-2)21-18(24)12-13-19-22-23-20(26-19)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 43017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).