ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate

C22H27N5O4 — CID 16896713

IUPACethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)CC1
InChIInChI=1S/C22H27N5O4/c1-4-30-22(29)26-11-9-25(10-12-26)19(28)14-27-17-8-6-5-7-16(17)13-18(27)21-24-23-20(31-21)15(2)3/h5-8,13,15H,4,9-12,14H2,1-3H3
InChIKeyMBDBLCVZFJEBFN-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.12
Rot. Bonds5

About ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate (PubChem CID 16896713) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate
PubChem CID16896713
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Nameethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)CC1
InChIInChI=1S/C22H27N5O4/c1-4-30-22(29)26-11-9-25(10-12-26)19(28)14-27-17-8-6-5-7-16(17)13-18(27)21-24-23-20(31-21)15(2)3/h5-8,13,15H,4,9-12,14H2,1-3H3
InChIKeyMBDBLCVZFJEBFN-UHFFFAOYSA-N
XLogP3.12
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate (CID 16896713) is ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is MBDBLCVZFJEBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-4-30-22(29)26-11-9-25(10-12-26)19(28)14-27-17-8-6-5-7-16(17)13-18(27)21-24-23-20(31-21)15(2)3/h5-8,13,15H,4,9-12,14H2,1-3H3.
What are the key properties of ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 16896713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).