(4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one

C14H20N2O2 — CID 102382755

IUPAC(4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one
SMILESCN(Cc1ccccc1)C(C)(C)[C@H]1COC(=O)N1
InChIInChI=1S/C14H20N2O2/c1-14(2,12-10-18-13(17)15-12)16(3)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyKAOVVEUFMUIKNP-GFCCVEGCSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds4

About (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one

(4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 102382755) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one
PubChem CID102382755
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one
SMILESCN(Cc1ccccc1)C(C)(C)[C@H]1COC(=O)N1
InChIInChI=1S/C14H20N2O2/c1-14(2,12-10-18-13(17)15-12)16(3)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyKAOVVEUFMUIKNP-GFCCVEGCSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one (CID 102382755) is (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one is CN(Cc1ccccc1)C(C)(C)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is KAOVVEUFMUIKNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,12-10-18-13(17)15-12)16(3)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[benzyl(methyl)amino]propan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102382755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).