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

C12H15FN2O2 — CID 115064427

IUPAC4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CN)COC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C12H15FN2O2/c1-12(7-14)8-17-11(16)15(12)6-9-3-2-4-10(13)5-9/h2-5H,6-8,14H2,1H3
InChIKeyOZXSDSUWIPZSMW-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.50
Rot. Bonds3

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

4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064427) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064427
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CN)COC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C12H15FN2O2/c1-12(7-14)8-17-11(16)15(12)6-9-3-2-4-10(13)5-9/h2-5H,6-8,14H2,1H3
InChIKeyOZXSDSUWIPZSMW-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 115064427) is 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is CC1(CN)COC(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is OZXSDSUWIPZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-12(7-14)8-17-11(16)15(12)6-9-3-2-4-10(13)5-9/h2-5H,6-8,14H2,1H3.
What are the key properties of 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).