2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone

C15H19NO3Se — CID 10925846

IUPAC2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone
SMILESCC(C)[C@H]1COC(=[Se])N1C(=O)COCc1ccccc1
InChIInChI=1S/C15H19NO3Se/c1-11(2)13-9-19-15(20)16(13)14(17)10-18-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyCSSXBAOOPDZHLO-CYBMUJFWSA-N
MW340.28 g/mol
LogP1.34
Rot. Bonds5

About 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone

2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone (PubChem CID 10925846) has the molecular formula C15H19NO3Se and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone
PubChem CID10925846
Molecular FormulaC15H19NO3Se
Molecular Weight340.28 g/mol
Exact Mass341.05
IUPAC Name2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone
SMILESCC(C)[C@H]1COC(=[Se])N1C(=O)COCc1ccccc1
InChIInChI=1S/C15H19NO3Se/c1-11(2)13-9-19-15(20)16(13)14(17)10-18-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyCSSXBAOOPDZHLO-CYBMUJFWSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone (CID 10925846) is 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone is CC(C)[C@H]1COC(=[Se])N1C(=O)COCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is CSSXBAOOPDZHLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO3Se/c1-11(2)13-9-19-15(20)16(13)14(17)10-18-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone?
2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 340.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 10925846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).