5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine

C12H20N4O — CID 131904905

IUPAC5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCN1CCCC(Nc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-2-16-7-3-4-10(8-16)13-12-14-11(17-15-12)9-5-6-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyUGYNYONAOCKCMG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.84
Rot. Bonds4

About 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine

5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 131904905) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID131904905
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCCN1CCCC(Nc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-2-16-7-3-4-10(8-16)13-12-14-11(17-15-12)9-5-6-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyUGYNYONAOCKCMG-UHFFFAOYSA-N
XLogP1.84
TPSA54.19 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpiperidin-3-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677438
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
2-cyclopropyl-N-(1-ethylpiperidin-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80995326
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
(3R)-N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95295290
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
CID 166301606
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 95606569
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylprop-2-enyl)piperidin-3-amine
CID 56781035
(3R)-N-(cyclopentylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95337828
N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80901082

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine (CID 131904905) is 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine is CCN1CCCC(Nc2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is UGYNYONAOCKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-7-3-4-10(8-16)13-12-14-11(17-15-12)9-5-6-9/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine?
5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 131904905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).