2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride

C17H29ClN4O3 — CID 120865628

IUPAC2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCNC(C)Cc1noc(C2(CC(=O)N3CCOCC3)CCCC2)n1.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-13(18-2)11-14-19-16(24-20-14)17(5-3-4-6-17)12-15(22)21-7-9-23-10-8-21;/h13,18H,3-12H2,1-2H3;1H
InChIKeyBXMPAOOMIAIFPS-UHFFFAOYSA-N
MW372.90 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride

2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 120865628) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride
PubChem CID120865628
Molecular FormulaC17H29ClN4O3
Molecular Weight372.90 g/mol
Exact Mass372.19
IUPAC Name2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCNC(C)Cc1noc(C2(CC(=O)N3CCOCC3)CCCC2)n1.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-13(18-2)11-14-19-16(24-20-14)17(5-3-4-6-17)12-15(22)21-7-9-23-10-8-21;/h13,18H,3-12H2,1-2H3;1H
InChIKeyBXMPAOOMIAIFPS-UHFFFAOYSA-N
XLogP1.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride (CID 120865628) is 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride is CNC(C)Cc1noc(C2(CC(=O)N3CCOCC3)CCCC2)n1.Cl.
What is the InChIKey of 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride?
The InChIKey is BXMPAOOMIAIFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c1-13(18-2)11-14-19-16(24-20-14)17(5-3-4-6-17)12-15(22)21-7-9-23-10-8-21;/h13,18H,3-12H2,1-2H3;1H.
What are the key properties of 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride?
2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 120865628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).