N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C14H12N2O4 — CID 672555

IUPACN-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NCc3ccco3)cc2N1
InChIInChI=1S/C14H12N2O4/c17-13-8-20-12-4-3-9(6-11(12)16-13)14(18)15-7-10-2-1-5-19-10/h1-6H,7-8H2,(H,15,18)(H,16,17)
InChIKeyCWDWYCMZOIESOA-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.54
Rot. Bonds3

About N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 672555) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID672555
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NCc3ccco3)cc2N1
InChIInChI=1S/C14H12N2O4/c17-13-8-20-12-4-3-9(6-11(12)16-13)14(18)15-7-10-2-1-5-19-10/h1-6H,7-8H2,(H,15,18)(H,16,17)
InChIKeyCWDWYCMZOIESOA-UHFFFAOYSA-N
XLogP1.54
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 672555) is N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)NCc3ccco3)cc2N1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CWDWYCMZOIESOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13-8-20-12-4-3-9(6-11(12)16-13)14(18)15-7-10-2-1-5-19-10/h1-6H,7-8H2,(H,15,18)(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 672555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).