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

C19H17N3O4 — CID 9015747

IUPAC[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-12-4-3-5-15(10-12)18-22-21-17(26-18)11-25-19(24)14-6-8-16(9-7-14)20-13(2)23/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyRAORZAHWRJUVGY-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.36
Rot. Bonds5

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

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate (PubChem CID 9015747) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
PubChem CID9015747
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-12-4-3-5-15(10-12)18-22-21-17(26-18)11-25-19(24)14-6-8-16(9-7-14)20-13(2)23/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyRAORZAHWRJUVGY-UHFFFAOYSA-N
XLogP3.36
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(hydroxymethyl)benzoate
CID 8845155
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate
CID 9201836
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491145
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoate
CID 155945469
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4-dichloro-5-fluorobenzoate
CID 8627067
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8610251
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 9343649
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate
CID 166189516
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methylbenzoate
CID 7971468
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110334389

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate?
The IUPAC name of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate (CID 9015747) is [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate.
What is the SMILES notation for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate?
The canonical SMILES for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate?
The InChIKey is RAORZAHWRJUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-4-3-5-15(10-12)18-22-21-17(26-18)11-25-19(24)14-6-8-16(9-7-14)20-13(2)23/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate?
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate has a molecular weight of 351.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate is sourced from PubChem (CID 9015747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).