(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate

C19H17N3O4 — CID 8610251

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-13(23)20-16-9-7-14(8-10-16)11-18(24)25-12-17-21-22-19(26-17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyZEUSICRARBPBFH-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.98
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate (PubChem CID 8610251) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
PubChem CID8610251
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O4/c1-13(23)20-16-9-7-14(8-10-16)11-18(24)25-12-17-21-22-19(26-17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyZEUSICRARBPBFH-UHFFFAOYSA-N
XLogP2.98
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
CID 9015747
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
CID 27707248
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-methylphenoxy)acetate
CID 7767710
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-phenylsulfanylpropanoate
CID 78760954
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-acetamidophenyl)acetate
CID 8671553
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617689
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
CID 2081182
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate (CID 8610251) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is ZEUSICRARBPBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13(23)20-16-9-7-14(8-10-16)11-18(24)25-12-17-21-22-19(26-17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,23).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate has a molecular weight of 351.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8610251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).