1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine

C11H16N4O2 — CID 121199861

IUPAC1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCCn1cccc1-c1noc(C(C)N)n1
InChIInChI=1S/C11H16N4O2/c1-8(12)11-13-10(14-17-11)9-4-3-5-15(9)6-7-16-2/h3-5,8H,6-7,12H2,1-2H3
InChIKeyQZVICPKRWXONIM-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.20
Rot. Bonds5

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

1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 121199861) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID121199861
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCCn1cccc1-c1noc(C(C)N)n1
InChIInChI=1S/C11H16N4O2/c1-8(12)11-13-10(14-17-11)9-4-3-5-15(9)6-7-16-2/h3-5,8H,6-7,12H2,1-2H3
InChIKeyQZVICPKRWXONIM-UHFFFAOYSA-N
XLogP1.20
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 121199861) is 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine is COCCn1cccc1-c1noc(C(C)N)n1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is QZVICPKRWXONIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(12)11-13-10(14-17-11)9-4-3-5-15(9)6-7-16-2/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 236.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)pyrrol-2-yl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 121199861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).