N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine

C13H20N4O2 — CID 66403219

IUPACN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1nnc(Cn2cccc2CNCCOC)o1
InChIInChI=1S/C13H20N4O2/c1-3-12-15-16-13(19-12)10-17-7-4-5-11(17)9-14-6-8-18-2/h4-5,7,14H,3,6,8-10H2,1-2H3
InChIKeyBQEDFNOMPLVGQO-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.22
Rot. Bonds8

About N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine

N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 66403219) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
PubChem CID66403219
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1nnc(Cn2cccc2CNCCOC)o1
InChIInChI=1S/C13H20N4O2/c1-3-12-15-16-13(19-12)10-17-7-4-5-11(17)9-14-6-8-18-2/h4-5,7,14H,3,6,8-10H2,1-2H3
InChIKeyBQEDFNOMPLVGQO-UHFFFAOYSA-N
XLogP1.22
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402636
N-[[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401466
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402832
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 106717702
2-methoxy-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402631
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine (CID 66403219) is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine is CCc1nnc(Cn2cccc2CNCCOC)o1.
What is the InChIKey of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is BQEDFNOMPLVGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-12-15-16-13(19-12)10-17-7-4-5-11(17)9-14-6-8-18-2/h4-5,7,14H,3,6,8-10H2,1-2H3.
What are the key properties of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 264.33 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66403219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).