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

C11H16N4O — CID 106395909

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCn1ccc(CNCCc2ncon2)c1
InChIInChI=1S/C11H16N4O/c1-2-15-6-4-10(8-15)7-12-5-3-11-13-9-16-14-11/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyDZIXYQTWJNJDMB-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.22
Rot. Bonds6

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

N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106395909) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106395909
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCn1ccc(CNCCc2ncon2)c1
InChIInChI=1S/C11H16N4O/c1-2-15-6-4-10(8-15)7-12-5-3-11-13-9-16-14-11/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyDZIXYQTWJNJDMB-UHFFFAOYSA-N
XLogP1.22
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.22
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-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
2-(3,5-difluorophenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66415967
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395446
N-[(4-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395819
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183468
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396362
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106396818

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106395909) is N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is CCn1ccc(CNCCc2ncon2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is DZIXYQTWJNJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-15-6-4-10(8-15)7-12-5-3-11-13-9-16-14-11/h4,6,8-9,12H,2-3,5,7H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106395909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).