N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C10H14N4O — CID 103872079

IUPACN-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCn1ccc(CNCCc2ncno2)c1
InChIInChI=1S/C10H14N4O/c1-14-5-3-9(7-14)6-11-4-2-10-12-8-13-15-10/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeySJKPICPSPOIVFT-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.74
Rot. Bonds5

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

N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103872079) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103872079
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCn1ccc(CNCCc2ncno2)c1
InChIInChI=1S/C10H14N4O/c1-14-5-3-9(7-14)6-11-4-2-10-12-8-13-15-10/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeySJKPICPSPOIVFT-UHFFFAOYSA-N
XLogP0.74
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351
2-(1,2,4-oxadiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113253278
4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzamide
CID 103744474
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103768738
N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 102609729
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744723
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 106399805
N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744500
N-[(2-bromophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744517

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 103872079) is N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cn1ccc(CNCCc2ncno2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is SJKPICPSPOIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14-5-3-9(7-14)6-11-4-2-10-12-8-13-15-10/h3,5,7-8,11H,2,4,6H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 206.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103872079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).