1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone

C15H19N3O2 — CID 115491768

IUPAC1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
SMILESCC1CC(CN)CN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10-6-11(8-16)9-18(10)15(19)7-13-12-4-2-3-5-14(12)20-17-13/h2-5,10-11H,6-9,16H2,1H3
InChIKeyUNTVHYURDCRPAJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds3

About 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone

1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone (PubChem CID 115491768) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
PubChem CID115491768
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
SMILESCC1CC(CN)CN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10-6-11(8-16)9-18(10)15(19)7-13-12-4-2-3-5-14(12)20-17-13/h2-5,10-11H,6-9,16H2,1H3
InChIKeyUNTVHYURDCRPAJ-UHFFFAOYSA-N
XLogP1.57
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
CID 119469596
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164456
2-(1,2-benzoxazol-3-yl)-1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102786626
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410913
2-(1,2-benzoxazol-3-yl)-1-(4-chloro-3-methylpiperidin-1-yl)ethanone
CID 114682976
2-(1,2-benzoxazol-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63264257
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421293
(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
CID 13247709

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone (CID 115491768) is 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone is CC1CC(CN)CN1C(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
The InChIKey is UNTVHYURDCRPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-11(8-16)9-18(10)15(19)7-13-12-4-2-3-5-14(12)20-17-13/h2-5,10-11H,6-9,16H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone is sourced from PubChem (CID 115491768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).