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

C16H14ClNO3 — CID 627502

IUPAC5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(Cl)cc2)CN1c1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-12-6-8-14(9-7-12)20-11-15-10-18(16(19)21-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKeyCGVVDBYKSQSBLG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.74
Rot. Bonds4

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

5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 627502) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID627502
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(Cl)cc2)CN1c1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-12-6-8-14(9-7-12)20-11-15-10-18(16(19)21-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKeyCGVVDBYKSQSBLG-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 627502) is 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(COc2ccc(Cl)cc2)CN1c1ccccc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CGVVDBYKSQSBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-12-6-8-14(9-7-12)20-11-15-10-18(16(19)21-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 627502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).