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

C12H18N4O — CID 66402914

IUPACN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1noc(CC)n1
InChIInChI=1S/C12H18N4O/c1-3-12-14-11(15-17-12)9-16-7-5-6-10(16)8-13-4-2/h5-7,13H,3-4,8-9H2,1-2H3
InChIKeySPUXKGYIEFURSN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.59
Rot. Bonds6

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

N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 66402914) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID66402914
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1noc(CC)n1
InChIInChI=1S/C12H18N4O/c1-3-12-14-11(15-17-12)9-16-7-5-6-10(16)8-13-4-2/h5-7,13H,3-4,8-9H2,1-2H3
InChIKeySPUXKGYIEFURSN-UHFFFAOYSA-N
XLogP1.59
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine (CID 66402914) is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1Cc1noc(CC)n1.
What is the InChIKey of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is SPUXKGYIEFURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-12-14-11(15-17-12)9-16-7-5-6-10(16)8-13-4-2/h5-7,13H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66402914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).