[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine

C12H16N4O2 — CID 116807317

IUPAC[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2nc(N3CCCCC3)no2)o1
InChIInChI=1S/C12H16N4O2/c13-8-9-4-5-10(17-9)11-14-12(15-18-11)16-6-2-1-3-7-16/h4-5H,1-3,6-8,13H2
InChIKeyUKWWVLZMGNZHHH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.78
Rot. Bonds3

About [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine

[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine (PubChem CID 116807317) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
PubChem CID116807317
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2nc(N3CCCCC3)no2)o1
InChIInChI=1S/C12H16N4O2/c13-8-9-4-5-10(17-9)11-14-12(15-18-11)16-6-2-1-3-7-16/h4-5H,1-3,6-8,13H2
InChIKeyUKWWVLZMGNZHHH-UHFFFAOYSA-N
XLogP1.78
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807104
5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747822
[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 116741810
5-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813852
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
[5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 82809820
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
CID 136994389

Frequently Asked Questions

What is the IUPAC name of [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine (CID 116807317) is [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine is NCc1ccc(-c2nc(N3CCCCC3)no2)o1.
What is the InChIKey of [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine?
The InChIKey is UKWWVLZMGNZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-8-9-4-5-10(17-9)11-14-12(15-18-11)16-6-2-1-3-7-16/h4-5H,1-3,6-8,13H2.
What are the key properties of [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine?
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine has a molecular weight of 248.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine is sourced from PubChem (CID 116807317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).