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

C10H18N4O — CID 106025406

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCc1nc(CNCC2CCCN2C)no1
InChIInChI=1S/C10H18N4O/c1-8-12-10(13-15-8)7-11-6-9-4-3-5-14(9)2/h9,11H,3-7H2,1-2H3
InChIKeyKFXMXIIBLDJOOE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.56
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 106025406) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID106025406
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCc1nc(CNCC2CCCN2C)no1
InChIInChI=1S/C10H18N4O/c1-8-12-10(13-15-8)7-11-6-9-4-3-5-14(9)2/h9,11H,3-7H2,1-2H3
InChIKeyKFXMXIIBLDJOOE-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107911728
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 107911447
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107911765
3-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 106129527
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 107911452
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107911734
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 114185670
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106398433
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107911511
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081137
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 106025406) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is Cc1nc(CNCC2CCCN2C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is KFXMXIIBLDJOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-12-10(13-15-8)7-11-6-9-4-3-5-14(9)2/h9,11H,3-7H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 106025406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).