[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate

C18H18ClNO3 — CID 11381971

IUPAC[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OCC1CC(c2ccc(Cl)cc2)N(c2ccccc2)O1
InChIInChI=1S/C18H18ClNO3/c1-13(21)22-12-17-11-18(14-7-9-15(19)10-8-14)20(23-17)16-5-3-2-4-6-16/h2-10,17-18H,11-12H2,1H3
InChIKeyONAAXHWMVLKFIC-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.15
Rot. Bonds4

About [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate

[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate (PubChem CID 11381971) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
PubChem CID11381971
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OCC1CC(c2ccc(Cl)cc2)N(c2ccccc2)O1
InChIInChI=1S/C18H18ClNO3/c1-13(21)22-12-17-11-18(14-7-9-15(19)10-8-14)20(23-17)16-5-3-2-4-6-16/h2-10,17-18H,11-12H2,1H3
InChIKeyONAAXHWMVLKFIC-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate (CID 11381971) is [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate is CC(=O)OCC1CC(c2ccc(Cl)cc2)N(c2ccccc2)O1.
What is the InChIKey of [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate?
The InChIKey is ONAAXHWMVLKFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-13(21)22-12-17-11-18(14-7-9-15(19)10-8-14)20(23-17)16-5-3-2-4-6-16/h2-10,17-18H,11-12H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate?
[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate has a molecular weight of 331.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 11381971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).