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

C10H14N4O — CID 66408823

IUPAC[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
SMILESCCc1noc(Cn2cccc2CN)n1
InChIInChI=1S/C10H14N4O/c1-2-9-12-10(15-13-9)7-14-5-3-4-8(14)6-11/h3-5H,2,6-7,11H2,1H3
InChIKeyYBDWEARNBQOZJP-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.94
Rot. Bonds4

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

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine (PubChem CID 66408823) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
PubChem CID66408823
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
SMILESCCc1noc(Cn2cccc2CN)n1
InChIInChI=1S/C10H14N4O/c1-2-9-12-10(15-13-9)7-14-5-3-4-8(14)6-11/h3-5H,2,6-7,11H2,1H3
InChIKeyYBDWEARNBQOZJP-UHFFFAOYSA-N
XLogP0.94
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 114761369
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402914
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401056
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283
[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine
CID 66409050
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115646857
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421775
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 83174607
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66397796
2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine?
The IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine (CID 66408823) is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine?
The canonical SMILES for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine is CCc1noc(Cn2cccc2CN)n1.
What is the InChIKey of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine?
The InChIKey is YBDWEARNBQOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-9-12-10(15-13-9)7-14-5-3-4-8(14)6-11/h3-5H,2,6-7,11H2,1H3.
What are the key properties of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine?
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 66408823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).