5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

C17H16ClNO4 — CID 59580305

IUPAC5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc(Cl)ccc1OCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C17H16ClNO4/c1-21-16-9-12(18)7-8-15(16)22-11-14-10-19(17(20)23-14)13-5-3-2-4-6-13/h2-9,14H,10-11H2,1H3
InChIKeyUTEAFZWULFPTKX-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.75
Rot. Bonds5

About 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 59580305) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID59580305
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc(Cl)ccc1OCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C17H16ClNO4/c1-21-16-9-12(18)7-8-15(16)22-11-14-10-19(17(20)23-14)13-5-3-2-4-6-13/h2-9,14H,10-11H2,1H3
InChIKeyUTEAFZWULFPTKX-UHFFFAOYSA-N
XLogP3.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 59580305) is 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is COc1cc(Cl)ccc1OCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UTEAFZWULFPTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-21-16-9-12(18)7-8-15(16)22-11-14-10-19(17(20)23-14)13-5-3-2-4-6-13/h2-9,14H,10-11H2,1H3.
What are the key properties of 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 333.77 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).