N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine

C12H16N4O2 — CID 63301501

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1noc(-c2ccco2)n1)C1CCNC1
InChIInChI=1S/C12H16N4O2/c1-16(9-4-5-13-7-9)8-11-14-12(18-15-11)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyHGZIEDKMKVWEBY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.12
Rot. Bonds4

About N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine (PubChem CID 63301501) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine
PubChem CID63301501
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1noc(-c2ccco2)n1)C1CCNC1
InChIInChI=1S/C12H16N4O2/c1-16(9-4-5-13-7-9)8-11-14-12(18-15-11)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyHGZIEDKMKVWEBY-UHFFFAOYSA-N
XLogP1.12
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63300902
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 63643917
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 63297902
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296
methyl 4-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]butanoate
CID 62013281
5-(furan-2-yl)-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 126444004
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154890448

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine (CID 63301501) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine is CN(Cc1noc(-c2ccco2)n1)C1CCNC1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is HGZIEDKMKVWEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(9-4-5-13-7-9)8-11-14-12(18-15-11)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 248.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63301501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).