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

C11H13BrN2O2 — CID 115062527

IUPAC4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1NC(=O)OC1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c12-8-3-1-7(2-4-8)5-10-9(6-13)14-11(15)16-10/h1-4,9-10H,5-6,13H2,(H,14,15)
InChIKeyHHSPJPOOMUQTFX-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.43
Rot. Bonds3

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

4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115062527) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115062527
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCC1NC(=O)OC1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c12-8-3-1-7(2-4-8)5-10-9(6-13)14-11(15)16-10/h1-4,9-10H,5-6,13H2,(H,14,15)
InChIKeyHHSPJPOOMUQTFX-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-[(4-bromophenyl)methyl]-5-ethyl-1,3-oxazolidin-2-one;carbon dioxide
CID 160814022
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one
CID 91375071
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
2-[5-(4-bromophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 70223580
(4-bromophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 82824431
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 11403417
2-[(4-bromophenyl)methyl]pyrrolidin-3-one
CID 83843927
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
CID 116926572

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one (CID 115062527) is 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one is NCC1NC(=O)OC1Cc1ccc(Br)cc1.
What is the InChIKey of 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HHSPJPOOMUQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-3-1-7(2-4-8)5-10-9(6-13)14-11(15)16-10/h1-4,9-10H,5-6,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 285.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115062527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).