5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one

C13H17FN2O2 — CID 115060075

IUPAC5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCCC1CN(Cc2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C13H17FN2O2/c14-11-5-3-10(4-6-11)8-16-9-12(2-1-7-15)18-13(16)17/h3-6,12H,1-2,7-9,15H2
InChIKeyROYHGIWJULBADS-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.89
Rot. Bonds5

About 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one

5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060075) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060075
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCCC1CN(Cc2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C13H17FN2O2/c14-11-5-3-10(4-6-11)8-16-9-12(2-1-7-15)18-13(16)17/h3-6,12H,1-2,7-9,15H2
InChIKeyROYHGIWJULBADS-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
3-[(4-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064858
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82084036
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
3-[(4-fluorophenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065038
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 115060075) is 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one is NCCCC1CN(Cc2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ROYHGIWJULBADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-5-3-10(4-6-11)8-16-9-12(2-1-7-15)18-13(16)17/h3-6,12H,1-2,7-9,15H2.
What are the key properties of 5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.89, 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-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).