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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Related Compounds

4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064483
5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065199
4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064427
5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
CID 115065235
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 115065232
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
CID 115068104
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064779
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859
4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067984
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049

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).