(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate

C15H15N3O3 — CID 24648877

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate
SMILESCc1noc(COC(=O)CCn2ccc3ccccc32)n1
InChIInChI=1S/C15H15N3O3/c1-11-16-14(21-17-11)10-20-15(19)7-9-18-8-6-12-4-2-3-5-13(12)18/h2-6,8H,7,9-10H2,1H3
InChIKeyZYIOHNBRAMRXKH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.47
Rot. Bonds5

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate (PubChem CID 24648877) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate
PubChem CID24648877
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate
SMILESCc1noc(COC(=O)CCn2ccc3ccccc32)n1
InChIInChI=1S/C15H15N3O3/c1-11-16-14(21-17-11)10-20-15(19)7-9-18-8-6-12-4-2-3-5-13(12)18/h2-6,8H,7,9-10H2,1H3
InChIKeyZYIOHNBRAMRXKH-UHFFFAOYSA-N
XLogP2.47
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-3-ylmethyl 3-indol-1-ylpropanoate
CID 23203254
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 24649256
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate
CID 55378755
(2-fluorophenyl) 3-indol-1-ylpropanoate
CID 86919496
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate
CID 43040396
1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95779494
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate
CID 86906520
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate
CID 18166388
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate
CID 40680707

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate (CID 24648877) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate is Cc1noc(COC(=O)CCn2ccc3ccccc32)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate?
The InChIKey is ZYIOHNBRAMRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-16-14(21-17-11)10-20-15(19)7-9-18-8-6-12-4-2-3-5-13(12)18/h2-6,8H,7,9-10H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate has a molecular weight of 285.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate is sourced from PubChem (CID 24648877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).