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

C20H21N3O3 — CID 43973535

IUPAC2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)c1ccc(Cc2nnc(NC(=O)COc3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(2)16-10-8-15(9-11-16)12-19-22-23-20(26-19)21-18(24)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23,24)
InChIKeyOASGSXWEEQYHHA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.80
Rot. Bonds7

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

2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43973535) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43973535
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)c1ccc(Cc2nnc(NC(=O)COc3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(2)16-10-8-15(9-11-16)12-19-22-23-20(26-19)21-18(24)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23,24)
InChIKeyOASGSXWEEQYHHA-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973422
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 43973201
2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 16917468
3-phenyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74907270
4-butoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973453
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 43974462
2-(1,3-benzodioxol-5-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973406
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43977317
4-(4-methylphenyl)sulfanyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43973570

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43973535) is 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(C)c1ccc(Cc2nnc(NC(=O)COc3ccccc3)o2)cc1.
What is the InChIKey of 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is OASGSXWEEQYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(2)16-10-8-15(9-11-16)12-19-22-23-20(26-19)21-18(24)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23,24).
What are the key properties of 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43973535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).