5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one

C12H20N4O2 — CID 112594280

IUPAC5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCC(C)n1ccc(CN2CC(CN)OC2=O)n1
InChIInChI=1S/C12H20N4O2/c1-3-9(2)16-5-4-10(14-16)7-15-8-11(6-13)18-12(15)17/h4-5,9,11H,3,6-8,13H2,1-2H3
InChIKeyGHUHVWXLTVTRBC-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.13
Rot. Bonds5

About 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 112594280) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID112594280
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCC(C)n1ccc(CN2CC(CN)OC2=O)n1
InChIInChI=1S/C12H20N4O2/c1-3-9(2)16-5-4-10(14-16)7-15-8-11(6-13)18-12(15)17/h4-5,9,11H,3,6-8,13H2,1-2H3
InChIKeyGHUHVWXLTVTRBC-UHFFFAOYSA-N
XLogP1.13
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 112594217
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115944267
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114451530
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536
5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64800150
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483803
methyl 2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]acetate
CID 115537733
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one (CID 112594280) is 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one is CCC(C)n1ccc(CN2CC(CN)OC2=O)n1.
What is the InChIKey of 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is GHUHVWXLTVTRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-9(2)16-5-4-10(14-16)7-15-8-11(6-13)18-12(15)17/h4-5,9,11H,3,6-8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).