(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate

C14H15N3O4 — CID 18169981

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate
SMILESCC(=O)Nc1c(C)cccc1C(=O)OCc1nnc(C)o1
InChIInChI=1S/C14H15N3O4/c1-8-5-4-6-11(13(8)15-9(2)18)14(19)20-7-12-17-16-10(3)21-12/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyJSGSYAMMRVEEQJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.00
Rot. Bonds4

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate (PubChem CID 18169981) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate
PubChem CID18169981
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate
SMILESCC(=O)Nc1c(C)cccc1C(=O)OCc1nnc(C)o1
InChIInChI=1S/C14H15N3O4/c1-8-5-4-6-11(13(8)15-9(2)18)14(19)20-7-12-17-16-10(3)21-12/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyJSGSYAMMRVEEQJ-UHFFFAOYSA-N
XLogP2.00
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate (CID 18169981) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate is CC(=O)Nc1c(C)cccc1C(=O)OCc1nnc(C)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate?
The InChIKey is JSGSYAMMRVEEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-5-4-6-11(13(8)15-9(2)18)14(19)20-7-12-17-16-10(3)21-12/h4-6H,7H2,1-3H3,(H,15,18).
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate has a molecular weight of 289.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-acetamido-3-methylbenzoate is sourced from PubChem (CID 18169981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).