1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone

C15H22N4O2 — CID 131891971

IUPAC1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(CNC(C)c2nc(C(C)C)no2)n(C)c1
InChIInChI=1S/C15H22N4O2/c1-9(2)14-17-15(21-18-14)10(3)16-7-13-6-12(11(4)20)8-19(13)5/h6,8-10,16H,7H2,1-5H3
InChIKeyTUZRVICQWRSWML-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.58
Rot. Bonds6

About 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone

1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone (PubChem CID 131891971) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone
PubChem CID131891971
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(CNC(C)c2nc(C(C)C)no2)n(C)c1
InChIInChI=1S/C15H22N4O2/c1-9(2)14-17-15(21-18-14)10(3)16-7-13-6-12(11(4)20)8-19(13)5/h6,8-10,16H,7H2,1-5H3
InChIKeyTUZRVICQWRSWML-UHFFFAOYSA-N
XLogP2.58
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone (CID 131891971) is 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone is CC(=O)c1cc(CNC(C)c2nc(C(C)C)no2)n(C)c1.
What is the InChIKey of 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone?
The InChIKey is TUZRVICQWRSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9(2)14-17-15(21-18-14)10(3)16-7-13-6-12(11(4)20)8-19(13)5/h6,8-10,16H,7H2,1-5H3.
What are the key properties of 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone?
1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 131891971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).