[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid

C13H14N2O5 — CID 155319958

IUPAC[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid
SMILESO=C(O)NCCC(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C13H14N2O5/c16-11(5-6-14-12(17)18)9-1-3-10(4-2-9)15-7-8-20-13(15)19/h1-4,14H,5-8H2,(H,17,18)
InChIKeyWOPPNXBPQPDZLR-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.48
Rot. Bonds5

About [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid

[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid (PubChem CID 155319958) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid.

Molecular Properties

Compound Name[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid
PubChem CID155319958
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid
SMILESO=C(O)NCCC(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C13H14N2O5/c16-11(5-6-14-12(17)18)9-1-3-10(4-2-9)15-7-8-20-13(15)19/h1-4,14H,5-8H2,(H,17,18)
InChIKeyWOPPNXBPQPDZLR-UHFFFAOYSA-N
XLogP1.48
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid?
The IUPAC name of [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid (CID 155319958) is [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid.
What is the SMILES notation for [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid?
The canonical SMILES for [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid is O=C(O)NCCC(=O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid?
The InChIKey is WOPPNXBPQPDZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-11(5-6-14-12(17)18)9-1-3-10(4-2-9)15-7-8-20-13(15)19/h1-4,14H,5-8H2,(H,17,18).
What are the key properties of [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid?
[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid has a molecular weight of 278.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]carbamic acid is sourced from PubChem (CID 155319958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).