N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

C19H19N3O3 — CID 43973201

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESCc1ccc(Cc2nnc(NC(=O)CCOc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-14-7-9-15(10-8-14)13-18-21-22-19(25-18)20-17(23)11-12-24-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,20,22,23)
InChIKeyLBKRGIWQCDTXKQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.38
Rot. Bonds7

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

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (PubChem CID 43973201) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
PubChem CID43973201
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESCc1ccc(Cc2nnc(NC(=O)CCOc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-14-7-9-15(10-8-14)13-18-21-22-19(25-18)20-17(23)11-12-24-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,20,22,23)
InChIKeyLBKRGIWQCDTXKQ-UHFFFAOYSA-N
XLogP3.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 41179095
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
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
2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973535
4-(4-methylphenyl)sulfanyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43973570
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 43973925
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
CID 16917444
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43974113
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 5094803
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 4075839

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (CID 43973201) is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is Cc1ccc(Cc2nnc(NC(=O)CCOc3ccccc3)o2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The InChIKey is LBKRGIWQCDTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14-7-9-15(10-8-14)13-18-21-22-19(25-18)20-17(23)11-12-24-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,20,22,23).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 43973201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).