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

C13H17BrN2O2 — CID 115060054

IUPAC5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCCC1CN(Cc2ccccc2Br)C(=O)O1
InChIInChI=1S/C13H17BrN2O2/c14-12-6-2-1-4-10(12)8-16-9-11(5-3-7-15)18-13(16)17/h1-2,4,6,11H,3,5,7-9,15H2
InChIKeyVVVMHAZNXFMJNF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.51
Rot. Bonds5

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

5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060054) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060054
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCCC1CN(Cc2ccccc2Br)C(=O)O1
InChIInChI=1S/C13H17BrN2O2/c14-12-6-2-1-4-10(12)8-16-9-11(5-3-7-15)18-13(16)17/h1-2,4,6,11H,3,5,7-9,15H2
InChIKeyVVVMHAZNXFMJNF-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060075
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060062
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid
CID 115060064
3-[(2-bromophenyl)methyl]-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84812247
1-[(2-bromophenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688744
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064492
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one (CID 115060054) is 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one is NCCCC1CN(Cc2ccccc2Br)C(=O)O1.
What is the InChIKey of 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is VVVMHAZNXFMJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-12-6-2-1-4-10(12)8-16-9-11(5-3-7-15)18-13(16)17/h1-2,4,6,11H,3,5,7-9,15H2.
What are the key properties of 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 313.19 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).