(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C14H17NO3 — CID 10014857

IUPAC(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)12-9-18-14(17)15(12)13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyZWSZMFRBRMBBEE-GFCCVEGCSA-N
MW247.29 g/mol
LogP2.23
Rot. Bonds3

About (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10014857) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10014857
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)12-9-18-14(17)15(12)13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyZWSZMFRBRMBBEE-GFCCVEGCSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10014857) is (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)Cc1ccccc1.
What is the InChIKey of (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZWSZMFRBRMBBEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)12-9-18-14(17)15(12)13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10014857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).