[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol

C12H22N4O3 — CID 106965906

IUPAC[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOCCNCc1nnc(N2CCC(C)C2CO)o1
InChIInChI=1S/C12H22N4O3/c1-9-3-5-16(10(9)8-17)12-15-14-11(19-12)7-13-4-6-18-2/h9-10,13,17H,3-8H2,1-2H3
InChIKeyZTCHJPUFWUYJNS-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.01
Rot. Bonds7

About [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 106965906) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID106965906
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOCCNCc1nnc(N2CCC(C)C2CO)o1
InChIInChI=1S/C12H22N4O3/c1-9-3-5-16(10(9)8-17)12-15-14-11(19-12)7-13-4-6-18-2/h9-10,13,17H,3-8H2,1-2H3
InChIKeyZTCHJPUFWUYJNS-UHFFFAOYSA-N
XLogP0.01
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106963724
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106965698
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965901
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959478
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106960883
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
CID 106965710
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106961108
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
5-[(2-methoxyethylamino)methyl]-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964977

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol (CID 106965906) is [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol is COCCNCc1nnc(N2CCC(C)C2CO)o1.
What is the InChIKey of [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ZTCHJPUFWUYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9-3-5-16(10(9)8-17)12-15-14-11(19-12)7-13-4-6-18-2/h9-10,13,17H,3-8H2,1-2H3.
What are the key properties of [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 270.33 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 106965906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).