[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

C17H22N4O3 — CID 120809283

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccccc2C(=O)N2CCC(C)(CN)C2)no1
InChIInChI=1S/C17H22N4O3/c1-12-19-15(20-24-12)9-23-14-6-4-3-5-13(14)16(22)21-8-7-17(2,10-18)11-21/h3-6H,7-11,18H2,1-2H3
InChIKeyACRSVTOCWOCELU-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.77
Rot. Bonds5

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 120809283) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID120809283
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccccc2C(=O)N2CCC(C)(CN)C2)no1
InChIInChI=1S/C17H22N4O3/c1-12-19-15(20-24-12)9-23-14-6-4-3-5-13(14)16(22)21-8-7-17(2,10-18)11-21/h3-6H,7-11,18H2,1-2H3
InChIKeyACRSVTOCWOCELU-UHFFFAOYSA-N
XLogP1.77
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 120809283) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is Cc1nc(COc2ccccc2C(=O)N2CCC(C)(CN)C2)no1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is ACRSVTOCWOCELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-19-15(20-24-12)9-23-14-6-4-3-5-13(14)16(22)21-8-7-17(2,10-18)11-21/h3-6H,7-11,18H2,1-2H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 120809283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).