3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C17H16ClNO4 — CID 3049204

IUPAC3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO4/c18-13-3-1-2-12(8-13)11-22-15-6-4-14(5-7-15)19-9-16(10-20)23-17(19)21/h1-8,16,20H,9-11H2
InChIKeyPFINJTNHNFCVOD-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.24
Rot. Bonds5

About 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 3049204) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID3049204
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO4/c18-13-3-1-2-12(8-13)11-22-15-6-4-14(5-7-15)19-9-16(10-20)23-17(19)21/h1-8,16,20H,9-11H2
InChIKeyPFINJTNHNFCVOD-UHFFFAOYSA-N
XLogP3.24
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 3049204) is 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is PFINJTNHNFCVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c18-13-3-1-2-12(8-13)11-22-15-6-4-14(5-7-15)19-9-16(10-20)23-17(19)21/h1-8,16,20H,9-11H2.
What are the key properties of 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 333.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3049204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).