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

C13H17FN2O2 — CID 115064483

IUPAC4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCN)COC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(5-6-15)9-18-12(17)16(13)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9,15H2,1H3
InChIKeyQHVUXFUGKPZJKR-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.89
Rot. Bonds4

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

4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064483) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064483
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCN)COC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(5-6-15)9-18-12(17)16(13)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9,15H2,1H3
InChIKeyQHVUXFUGKPZJKR-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064427
4-(aminomethyl)-3-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064441
5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065239
2'-bromo-5'-[(3-fluorophenyl)methyl]-3'-methylspiro[oxetane-3,6'-thieno[2,3-c]pyrrole]-4'-one
CID 155307663
1-[(3-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875476
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
(4R)-4-(2-aminoethyl)-1-benzyl-4-methylazetidin-2-one;methane
CID 142384259
1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450558
1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450559
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765108
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 115064483) is 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is CC1(CCN)COC(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QHVUXFUGKPZJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(5-6-15)9-18-12(17)16(13)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9,15H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).