2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C21H23N3O4 — CID 43973422

IUPAC2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)c1
InChIInChI=1S/C21H23N3O4/c1-14(2)16-9-7-15(8-10-16)11-20-23-24-21(28-20)22-19(25)13-27-18-6-4-5-17(12-18)26-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,24,25)
InChIKeyQVONNUJTIBMOMB-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.81
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43973422) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43973422
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)c1
InChIInChI=1S/C21H23N3O4/c1-14(2)16-9-7-15(8-10-16)11-20-23-24-21(28-20)22-19(25)13-27-18-6-4-5-17(12-18)26-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,24,25)
InChIKeyQVONNUJTIBMOMB-UHFFFAOYSA-N
XLogP3.81
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973535
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 43974462
2-(3-methoxyphenyl)-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975016
2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975288
3-methoxy-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974806
2-(1,3-benzodioxol-5-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973406
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43977317
2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 61034820
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43973422) is 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1cccc(OCC(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is QVONNUJTIBMOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(2)16-9-7-15(8-10-16)11-20-23-24-21(28-20)22-19(25)13-27-18-6-4-5-17(12-18)26-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,24,25).
What are the key properties of 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43973422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).