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

C14H19FN2O2 — CID 115065239

IUPAC5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCN)CN(Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C14H19FN2O2/c1-14(6-3-7-16)10-17(13(18)19-14)9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10,16H2,1H3
InChIKeyZSFIKODCBUHPST-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.28
Rot. Bonds5

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

5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115065239) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID115065239
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCN)CN(Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C14H19FN2O2/c1-14(6-3-7-16)10-17(13(18)19-14)9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10,16H2,1H3
InChIKeyZSFIKODCBUHPST-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 115065239) is 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is CC1(CCCN)CN(Cc2cccc(F)c2)C(=O)O1.
What is the InChIKey of 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is ZSFIKODCBUHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(6-3-7-16)10-17(13(18)19-14)9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10,16H2,1H3.
What are the key properties of 5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 266.32 g/mol, XLogP of 2.28, 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-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).