5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one

C9H14N4O2 — CID 112594346

IUPAC5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCn1cc(CN2CC(CN)OC2=O)cn1
InChIInChI=1S/C9H14N4O2/c1-12-4-7(3-11-12)5-13-6-8(2-10)15-9(13)14/h3-4,8H,2,5-6,10H2,1H3
InChIKeyHTVMFMBRZLVOFU-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.30
Rot. Bonds3

About 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 112594346) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID112594346
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCn1cc(CN2CC(CN)OC2=O)cn1
InChIInChI=1S/C9H14N4O2/c1-12-4-7(3-11-12)5-13-6-8(2-10)15-9(13)14/h3-4,8H,2,5-6,10H2,1H3
InChIKeyHTVMFMBRZLVOFU-UHFFFAOYSA-N
XLogP-0.30
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 112594217
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 82507618
5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594280
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one (CID 112594346) is 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one is Cn1cc(CN2CC(CN)OC2=O)cn1.
What is the InChIKey of 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HTVMFMBRZLVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-4-7(3-11-12)5-13-6-8(2-10)15-9(13)14/h3-4,8H,2,5-6,10H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).