2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C20H26N4O2 — CID 164633330

IUPAC2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCCc1nc(C2(NCC(=O)N3c4ccccc4C[C@@H]3C)CCCC2)no1
InChIInChI=1S/C20H26N4O2/c1-3-17-22-19(23-26-17)20(10-6-7-11-20)21-13-18(25)24-14(2)12-15-8-4-5-9-16(15)24/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3/t14-/m0/s1
InChIKeyVNZANMCKAIOXDU-AWEZNQCLSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds5

About 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 164633330) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID164633330
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCCc1nc(C2(NCC(=O)N3c4ccccc4C[C@@H]3C)CCCC2)no1
InChIInChI=1S/C20H26N4O2/c1-3-17-22-19(23-26-17)20(10-6-7-11-20)21-13-18(25)24-14(2)12-15-8-4-5-9-16(15)24/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3/t14-/m0/s1
InChIKeyVNZANMCKAIOXDU-AWEZNQCLSA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 164633330) is 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is CCc1nc(C2(NCC(=O)N3c4ccccc4C[C@@H]3C)CCCC2)no1.
What is the InChIKey of 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is VNZANMCKAIOXDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-17-22-19(23-26-17)20(10-6-7-11-20)21-13-18(25)24-14(2)12-15-8-4-5-9-16(15)24/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 164633330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).