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

C18H15N3O4 — CID 7783069

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H15N3O4/c22-16(11-19-17(23)13-7-3-1-4-8-13)24-12-15-20-21-18(25-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,23)
InChIKeySGXSVJJCGZDPMQ-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.21
Rot. Bonds6

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate (PubChem CID 7783069) has the molecular formula C18H15N3O4 and a molecular weight of 337.33 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate
PubChem CID7783069
Molecular FormulaC18H15N3O4
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H15N3O4/c22-16(11-19-17(23)13-7-3-1-4-8-13)24-12-15-20-21-18(25-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,23)
InChIKeySGXSVJJCGZDPMQ-UHFFFAOYSA-N
XLogP2.21
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate (CID 7783069) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate?
The InChIKey is SGXSVJJCGZDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16(11-19-17(23)13-7-3-1-4-8-13)24-12-15-20-21-18(25-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,23).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-benzamidoacetate has a molecular weight of 337.33 g/mol, XLogP of 2.21, 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-benzamidoacetate is sourced from PubChem (CID 7783069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).