3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C17H21ClN2O3 — CID 99876744

IUPAC3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O3/c18-15-6-4-13(5-7-15)14-3-1-2-8-19(11-14)16(21)12-20-9-10-23-17(20)22/h4-7,14H,1-3,8-12H2/t14-/m0/s1
InChIKeyFZGKAOKEHWSUDZ-AWEZNQCLSA-N
MW336.82 g/mol
LogP2.89
Rot. Bonds3

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

3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 99876744) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID99876744
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O3/c18-15-6-4-13(5-7-15)14-3-1-2-8-19(11-14)16(21)12-20-9-10-23-17(20)22/h4-7,14H,1-3,8-12H2/t14-/m0/s1
InChIKeyFZGKAOKEHWSUDZ-AWEZNQCLSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 99876744) is 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is FZGKAOKEHWSUDZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-15-6-4-13(5-7-15)14-3-1-2-8-19(11-14)16(21)12-20-9-10-23-17(20)22/h4-7,14H,1-3,8-12H2/t14-/m0/s1.
What are the key properties of 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 336.82 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 99876744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).