N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C13H24N4O2 — CID 116809175

IUPACN-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(COC)Cc1nc(N2CCCCC2)no1
InChIInChI=1S/C13H24N4O2/c1-3-14-11(10-18-2)9-12-15-13(16-19-12)17-7-5-4-6-8-17/h11,14H,3-10H2,1-2H3
InChIKeyCYHHLCBUWQNNJO-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds7

About N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 116809175) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID116809175
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCCNC(COC)Cc1nc(N2CCCCC2)no1
InChIInChI=1S/C13H24N4O2/c1-3-14-11(10-18-2)9-12-15-13(16-19-12)17-7-5-4-6-8-17/h11,14H,3-10H2,1-2H3
InChIKeyCYHHLCBUWQNNJO-UHFFFAOYSA-N
XLogP1.23
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116809352
N-ethyl-4-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809112
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116809357
1-cyclopropyl-N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 116809156
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63347818
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
2-methoxy-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 103157980
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
3-methyl-N-propyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809104
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 116809175) is N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CCNC(COC)Cc1nc(N2CCCCC2)no1.
What is the InChIKey of N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is CYHHLCBUWQNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-14-11(10-18-2)9-12-15-13(16-19-12)17-7-5-4-6-8-17/h11,14H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116809175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).