6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one

C15H12N2O5 — CID 14261715

IUPAC6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1OCC(CO)=C1N1C(=O)C2N=C(c3ccccc3)OC21
InChIInChI=1S/C15H12N2O5/c18-6-9-7-21-15(20)11(9)17-13(19)10-14(17)22-12(16-10)8-4-2-1-3-5-8/h1-5,10,14,18H,6-7H2
InChIKeyRWEQQBCUBMOBLX-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.20
Rot. Bonds3

About 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one

6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 14261715) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
PubChem CID14261715
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1OCC(CO)=C1N1C(=O)C2N=C(c3ccccc3)OC21
InChIInChI=1S/C15H12N2O5/c18-6-9-7-21-15(20)11(9)17-13(19)10-14(17)22-12(16-10)8-4-2-1-3-5-8/h1-5,10,14,18H,6-7H2
InChIKeyRWEQQBCUBMOBLX-UHFFFAOYSA-N
XLogP-0.20
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one (CID 14261715) is 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is O=C1OCC(CO)=C1N1C(=O)C2N=C(c3ccccc3)OC21.
What is the InChIKey of 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is RWEQQBCUBMOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-6-9-7-21-15(20)11(9)17-13(19)10-14(17)22-12(16-10)8-4-2-1-3-5-8/h1-5,10,14,18H,6-7H2.
What are the key properties of 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one?
6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 300.27 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 14261715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).