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

C10H18N4O2 — CID 106965901

IUPAC[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nnc(CCN)o2)C1CO
InChIInChI=1S/C10H18N4O2/c1-7-3-5-14(8(7)6-15)10-13-12-9(16-10)2-4-11/h7-8,15H,2-6,11H2,1H3
InChIKeyCAYXKDHQVUFAOQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.22
Rot. Bonds4

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

[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 106965901) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID106965901
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nnc(CCN)o2)C1CO
InChIInChI=1S/C10H18N4O2/c1-7-3-5-14(8(7)6-15)10-13-12-9(16-10)2-4-11/h7-8,15H,2-6,11H2,1H3
InChIKeyCAYXKDHQVUFAOQ-UHFFFAOYSA-N
XLogP-0.22
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965906
2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962581
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968372
[4-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965563
2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106968263
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
[1-(6-aminopyrazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789805
[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784107
2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106956310
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788159
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 102786999

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol (CID 106965901) is [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nnc(CCN)o2)C1CO.
What is the InChIKey of [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is CAYXKDHQVUFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-3-5-14(8(7)6-15)10-13-12-9(16-10)2-4-11/h7-8,15H,2-6,11H2,1H3.
What are the key properties of [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 106965901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).