(4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one

C17H22N2O3 — CID 72873452

IUPAC(4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCCCCC1
InChIInChI=1S/C17H22N2O3/c20-16(18-10-6-1-2-7-11-18)12-19-15(13-22-17(19)21)14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2/t15-/m1/s1
InChIKeyWEOXBVFJNDLIOV-OAHLLOKOSA-N
MW302.37 g/mol
LogP2.58
Rot. Bonds3

About (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 72873452) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID72873452
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCCCCC1
InChIInChI=1S/C17H22N2O3/c20-16(18-10-6-1-2-7-11-18)12-19-15(13-22-17(19)21)14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2/t15-/m1/s1
InChIKeyWEOXBVFJNDLIOV-OAHLLOKOSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one (CID 72873452) is (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCCCCC1.
What is the InChIKey of (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WEOXBVFJNDLIOV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(18-10-6-1-2-7-11-18)12-19-15(13-22-17(19)21)14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2/t15-/m1/s1.
What are the key properties of (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72873452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).