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

C18H15N3O4 — CID 2995649

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H15N3O4/c1-12(22)19-15-10-6-5-9-14(15)18(23)24-11-16-20-21-17(25-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22)
InChIKeyNJNJRIBWIOQLHY-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.05
Rot. Bonds5

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate (PubChem CID 2995649) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate
PubChem CID2995649
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H15N3O4/c1-12(22)19-15-10-6-5-9-14(15)18(23)24-11-16-20-21-17(25-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22)
InChIKeyNJNJRIBWIOQLHY-UHFFFAOYSA-N
XLogP3.05
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-Benzoylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 646163
[5-(2-Benzoylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid cyclohexyl ester
CID 1143042
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16275847
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
N-[4-(5-Phenyl-[1,3,4]oxadiazol-2-ylmethoxy)-phenyl]-acetamide
CID 2985242
N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 2813819
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 24982402
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 797915
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 839401
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-hydroxy-4-quinolinecarboxylate
CID 2647327
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-YL]methyl 2-hydroxy-4-quinolinecarboxylate
CID 2996750
Methyl 4-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]anilino]-4-oxobutanoate
CID 90681038

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate (CID 2995649) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate?
The InChIKey is NJNJRIBWIOQLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-12(22)19-15-10-6-5-9-14(15)18(23)24-11-16-20-21-17(25-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamidobenzoate has a molecular weight of 337.34 g/mol, XLogP of 3.05, 5 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-acetamidobenzoate is sourced from PubChem (CID 2995649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).