5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one

C6H12N2O2 — CID 83845475

IUPAC5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1C(CN)OC(=O)N1C
InChIInChI=1S/C6H12N2O2/c1-4-5(3-7)10-6(9)8(4)2/h4-5H,3,7H2,1-2H3
InChIKeyQEVSVLQZEFVVCM-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.22
Rot. Bonds1

About 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one

5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 83845475) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID83845475
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1C(CN)OC(=O)N1C
InChIInChI=1S/C6H12N2O2/c1-4-5(3-7)10-6(9)8(4)2/h4-5H,3,7H2,1-2H3
InChIKeyQEVSVLQZEFVVCM-UHFFFAOYSA-N
XLogP-0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one
CID 112710446
(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 84641520
3-(aminomethyl)-1,4-dimethylazetidin-2-one
CID 20715925
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 115062505
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
3-methyl-4-pentyl-5-propyl-1,3-oxazolidin-2-one
CID 138501046
3-amino-4-(aminomethyl)oxetan-2-one
CID 163943020
2-(aminomethyl)-4,5-dimethylmorpholin-3-one
CID 171532110
(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 18640470
(4S,5S)-3,4-dimethyl-5-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
CID 90179162
(4S,5S)-3,4-dimethyl-5-(1-methylimidazol-2-yl)-1,3-oxazolidin-2-one
CID 90179129

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one (CID 83845475) is 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one is CC1C(CN)OC(=O)N1C.
What is the InChIKey of 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is QEVSVLQZEFVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5(3-7)10-6(9)8(4)2/h4-5H,3,7H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one?
5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 83845475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).