4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide

C11H13N3O3 — CID 175803957

IUPAC4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
SMILESNCC1CN(c2ccc(C(N)=O)cc2)C(=O)O1
InChIInChI=1S/C11H13N3O3/c12-5-9-6-14(11(16)17-9)8-3-1-7(2-4-8)10(13)15/h1-4,9H,5-6,12H2,(H2,13,15)
InChIKeyFOXXUXFYWJRVFA-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.07
Rot. Bonds3

About 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide

4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide (PubChem CID 175803957) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
PubChem CID175803957
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
SMILESNCC1CN(c2ccc(C(N)=O)cc2)C(=O)O1
InChIInChI=1S/C11H13N3O3/c12-5-9-6-14(11(16)17-9)8-3-1-7(2-4-8)10(13)15/h1-4,9H,5-6,12H2,(H2,13,15)
InChIKeyFOXXUXFYWJRVFA-UHFFFAOYSA-N
XLogP0.07
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The IUPAC name of 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide (CID 175803957) is 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide is NCC1CN(c2ccc(C(N)=O)cc2)C(=O)O1.
What is the InChIKey of 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The InChIKey is FOXXUXFYWJRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-5-9-6-14(11(16)17-9)8-3-1-7(2-4-8)10(13)15/h1-4,9H,5-6,12H2,(H2,13,15).
What are the key properties of 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide?
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide has a molecular weight of 235.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide is sourced from PubChem (CID 175803957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).