2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H22N4O2 — CID 106964218

IUPAC2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCCNCc1nnc(N2CC3CCC(O)C3C2)o1
InChIInChI=1S/C13H22N4O2/c1-2-5-14-6-12-15-16-13(19-12)17-7-9-3-4-11(18)10(9)8-17/h9-11,14,18H,2-8H2,1H3
InChIKeyDFDMRRPOQYQBFB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.78
Rot. Bonds5

About 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 106964218) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID106964218
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCCNCc1nnc(N2CC3CCC(O)C3C2)o1
InChIInChI=1S/C13H22N4O2/c1-2-5-14-6-12-15-16-13(19-12)17-7-9-3-4-11(18)10(9)8-17/h9-11,14,18H,2-8H2,1H3
InChIKeyDFDMRRPOQYQBFB-UHFFFAOYSA-N
XLogP0.78
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959475
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372
N-[[5-(3-phenylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960239
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961117
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
CID 106960694
N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106965552
4-methyl-1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]azepan-4-ol
CID 107409289
N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959478

Frequently Asked Questions

What is the IUPAC name of 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 106964218) is 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CCCNCc1nnc(N2CC3CCC(O)C3C2)o1.
What is the InChIKey of 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is DFDMRRPOQYQBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-5-14-6-12-15-16-13(19-12)17-7-9-3-4-11(18)10(9)8-17/h9-11,14,18H,2-8H2,1H3.
What are the key properties of 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 266.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 106964218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).