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

C19H19N3O3 — CID 110319572

IUPAC2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-13-3-7-15(8-4-13)19-22-21-18(25-19)11-20-17(23)12-24-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyTYKBIYHSCYYVJJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.05
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 110319572) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID110319572
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-13-3-7-15(8-4-13)19-22-21-18(25-19)11-20-17(23)12-24-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyTYKBIYHSCYYVJJ-UHFFFAOYSA-N
XLogP3.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318717
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129
2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 92559007
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 110319572) is 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is Cc1ccc(OCC(=O)NCc2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is TYKBIYHSCYYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-3-7-15(8-4-13)19-22-21-18(25-19)11-20-17(23)12-24-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 110319572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).