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

C12H16N2O3 — CID 115062505

IUPAC4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC(Cc2cccc(O)c2)C1CN
InChIInChI=1S/C12H16N2O3/c1-14-10(7-13)11(17-12(14)16)6-8-3-2-4-9(15)5-8/h2-5,10-11,15H,6-7,13H2,1H3
InChIKeyLSYWSNILXGXLRC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.71
Rot. Bonds3

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

4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 115062505) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID115062505
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC(Cc2cccc(O)c2)C1CN
InChIInChI=1S/C12H16N2O3/c1-14-10(7-13)11(17-12(14)16)6-8-3-2-4-9(15)5-8/h2-5,10-11,15H,6-7,13H2,1H3
InChIKeyLSYWSNILXGXLRC-UHFFFAOYSA-N
XLogP0.71
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one (CID 115062505) is 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OC(Cc2cccc(O)c2)C1CN.
What is the InChIKey of 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is LSYWSNILXGXLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14-10(7-13)11(17-12(14)16)6-8-3-2-4-9(15)5-8/h2-5,10-11,15H,6-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one?
4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-[(3-hydroxyphenyl)methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115062505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).