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

C22H19NO4 — CID 59580285

IUPAC5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2cccc(Oc3ccccc3)c2)CN1c1ccccc1
InChIInChI=1S/C22H19NO4/c24-22-23(17-8-3-1-4-9-17)15-21(27-22)16-25-19-12-7-13-20(14-19)26-18-10-5-2-6-11-18/h1-14,21H,15-16H2
InChIKeyPMVNORPGXRNSKS-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.88
Rot. Bonds6

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

5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 59580285) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID59580285
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2cccc(Oc3ccccc3)c2)CN1c1ccccc1
InChIInChI=1S/C22H19NO4/c24-22-23(17-8-3-1-4-9-17)15-21(27-22)16-25-19-12-7-13-20(14-19)26-18-10-5-2-6-11-18/h1-14,21H,15-16H2
InChIKeyPMVNORPGXRNSKS-UHFFFAOYSA-N
XLogP4.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 59580285) is 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(COc2cccc(Oc3ccccc3)c2)CN1c1ccccc1.
What is the InChIKey of 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PMVNORPGXRNSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-22-23(17-8-3-1-4-9-17)15-21(27-22)16-25-19-12-7-13-20(14-19)26-18-10-5-2-6-11-18/h1-14,21H,15-16H2.
What are the key properties of 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 361.40 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).