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

C10H18N4O — CID 115081137

IUPACN-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(CC2CCCN2C)no1
InChIInChI=1S/C10H18N4O/c1-11-7-10-12-9(13-15-10)6-8-4-3-5-14(8)2/h8,11H,3-7H2,1-2H3
InChIKeyQXEYPXUHEAWIFC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds4

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

N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115081137) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115081137
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(CC2CCCN2C)no1
InChIInChI=1S/C10H18N4O/c1-11-7-10-12-9(13-15-10)6-8-4-3-5-14(8)2/h8,11H,3-7H2,1-2H3
InChIKeyQXEYPXUHEAWIFC-UHFFFAOYSA-N
XLogP0.43
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081650
N-methyl-1-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081022
N-methyl-1-[5-[(1-methylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078585
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397
3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080126
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879933
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025406
1-[3-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115081012
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 115081137) is N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(CC2CCCN2C)no1.
What is the InChIKey of N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is QXEYPXUHEAWIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-11-7-10-12-9(13-15-10)6-8-4-3-5-14(8)2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115081137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).