5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

C12H16N2O3 — CID 75365946

IUPAC5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1CN1CC(CN)OC1=O
InChIInChI=1S/C12H16N2O3/c1-16-11-5-3-2-4-9(11)7-14-8-10(6-13)17-12(14)15/h2-5,10H,6-8,13H2,1H3
InChIKeyBTKCQKVYUZOCTG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.97
Rot. Bonds4

About 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 75365946) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID75365946
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1CN1CC(CN)OC1=O
InChIInChI=1S/C12H16N2O3/c1-16-11-5-3-2-4-9(11)7-14-8-10(6-13)17-12(14)15/h2-5,10H,6-8,13H2,1H3
InChIKeyBTKCQKVYUZOCTG-UHFFFAOYSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115944267
5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060062
4-[(2-methoxyphenyl)methyl]-2-methyl-5H-1,4-benzoxazepin-3-one
CID 53335578

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 75365946) is 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccccc1CN1CC(CN)OC1=O.
What is the InChIKey of 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BTKCQKVYUZOCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-11-5-3-2-4-9(11)7-14-8-10(6-13)17-12(14)15/h2-5,10H,6-8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 75365946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).