1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine

C12H20N4O — CID 112630226

IUPAC1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-8(13)10-4-5-16(6-10)7-11-14-12(17-15-11)9-2-3-9/h8-10H,2-7,13H2,1H3
InChIKeyVAHGRWDAJGHPRX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.12
Rot. Bonds4

About 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine

1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 112630226) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID112630226
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-8(13)10-4-5-16(6-10)7-11-14-12(17-15-11)9-2-3-9/h8-10H,2-7,13H2,1H3
InChIKeyVAHGRWDAJGHPRX-UHFFFAOYSA-N
XLogP1.12
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992920
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
(2S)-N-cyclopropyl-2-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propanamide
CID 95308501
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine (CID 112630226) is 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is VAHGRWDAJGHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(13)10-4-5-16(6-10)7-11-14-12(17-15-11)9-2-3-9/h8-10H,2-7,13H2,1H3.
What are the key properties of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 236.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).