N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H18N2O5 — CID 14987839

IUPACN-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3cc(O)ccc3O)cc2)C(=O)O1
InChIInChI=1S/C18H18N2O5/c1-11(21)19-9-15-10-20(18(24)25-15)13-4-2-12(3-5-13)16-8-14(22)6-7-17(16)23/h2-8,15,22-23H,9-10H2,1H3,(H,19,21)
InChIKeyPELOCLBFHWWAJX-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.23
Rot. Bonds4

About N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14987839) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14987839
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3cc(O)ccc3O)cc2)C(=O)O1
InChIInChI=1S/C18H18N2O5/c1-11(21)19-9-15-10-20(18(24)25-15)13-4-2-12(3-5-13)16-8-14(22)6-7-17(16)23/h2-8,15,22-23H,9-10H2,1H3,(H,19,21)
InChIKeyPELOCLBFHWWAJX-UHFFFAOYSA-N
XLogP2.23
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14987839) is N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3cc(O)ccc3O)cc2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PELOCLBFHWWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(21)19-9-15-10-20(18(24)25-15)13-4-2-12(3-5-13)16-8-14(22)6-7-17(16)23/h2-8,15,22-23H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14987839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).