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

C14H22N4O2 — CID 66404405

IUPAC2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(Cc2nc(C(C)C)no2)c1
InChIInChI=1S/C14H22N4O2/c1-11(2)14-16-13(20-17-14)10-18-6-4-12(9-18)8-15-5-7-19-3/h4,6,9,11,15H,5,7-8,10H2,1-3H3
InChIKeyLKUADRYYSPGBOU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.78
Rot. Bonds8

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

2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 66404405) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID66404405
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(Cc2nc(C(C)C)no2)c1
InChIInChI=1S/C14H22N4O2/c1-11(2)14-16-13(20-17-14)10-18-6-4-12(9-18)8-15-5-7-19-3/h4,6,9,11,15H,5,7-8,10H2,1-3H3
InChIKeyLKUADRYYSPGBOU-UHFFFAOYSA-N
XLogP1.78
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.78
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-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404925
2-methoxy-N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404206
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66404611
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097601
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406034
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
2-methoxy-N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 102878015
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405412
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 66404405) is 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine is COCCNCc1ccn(Cc2nc(C(C)C)no2)c1.
What is the InChIKey of 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is LKUADRYYSPGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)14-16-13(20-17-14)10-18-6-4-12(9-18)8-15-5-7-19-3/h4,6,9,11,15H,5,7-8,10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66404405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).