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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Related Compounds

3-[(3-ethyloxetan-2-yl)methyl]phenol
CID 139333931
cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 163487392
3-[2-(aminomethyl)-1-methylpyrrolidin-3-yl]phenol
CID 105459318
(3S,4S)-1-(4-ethylphenyl)-4-(hydroxymethyl)-3-[(3-hydroxyphenyl)methyl]azetidin-2-one
CID 58977344
3-[2-(3-methyloxiran-2-yl)ethyl]phenol
CID 83930331
3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
CID 81196409
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
2-[(3-chlorophenyl)methyl]-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229236
3-[(3-hydroxyphenyl)methyl]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 17129620
(3S,4S)-4-[2-(3-hydroxyphenyl)ethyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 166826069
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 59905935

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).