1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

C19H15N3O3 — CID 75381035

IUPAC1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCc1nnc(-c2cccc(C(=O)OCc3cccc4[nH]ccc34)c2)o1
InChIInChI=1S/C19H15N3O3/c1-12-21-22-18(25-12)13-4-2-5-14(10-13)19(23)24-11-15-6-3-7-17-16(15)8-9-20-17/h2-10,20H,11H2,1H3
InChIKeyLMUIHIGVGUARLZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.88
Rot. Bonds4

About 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 75381035) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID75381035
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCc1nnc(-c2cccc(C(=O)OCc3cccc4[nH]ccc34)c2)o1
InChIInChI=1S/C19H15N3O3/c1-12-21-22-18(25-12)13-4-2-5-14(10-13)19(23)24-11-15-6-3-7-17-16(15)8-9-20-17/h2-10,20H,11H2,1H3
InChIKeyLMUIHIGVGUARLZ-UHFFFAOYSA-N
XLogP3.88
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (CID 75381035) is 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate is Cc1nnc(-c2cccc(C(=O)OCc3cccc4[nH]ccc34)c2)o1.
What is the InChIKey of 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is LMUIHIGVGUARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-21-22-18(25-12)13-4-2-5-14(10-13)19(23)24-11-15-6-3-7-17-16(15)8-9-20-17/h2-10,20H,11H2,1H3.
What are the key properties of 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate?
1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 333.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 75381035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).