N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide

C15H14N2O4 — CID 110404630

IUPACN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1Oc2ccccc2NC1=O)c1ccco1
InChIInChI=1S/C15H14N2O4/c18-14(12-6-3-9-20-12)16-8-7-13-15(19)17-10-4-1-2-5-11(10)21-13/h1-6,9,13H,7-8H2,(H,16,18)(H,17,19)
InChIKeyPJGVIBAFLLIWFN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide

N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide (PubChem CID 110404630) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
PubChem CID110404630
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1Oc2ccccc2NC1=O)c1ccco1
InChIInChI=1S/C15H14N2O4/c18-14(12-6-3-9-20-12)16-8-7-13-15(19)17-10-4-1-2-5-11(10)21-13/h1-6,9,13H,7-8H2,(H,16,18)(H,17,19)
InChIKeyPJGVIBAFLLIWFN-UHFFFAOYSA-N
XLogP1.80
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404641
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide
CID 110404689
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]oxolane-2-carboxamide
CID 110404626
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404332
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9482274
N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9226903
1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404755
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9069125

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide (CID 110404630) is N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide is O=C(NCCC1Oc2ccccc2NC1=O)c1ccco1.
What is the InChIKey of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is PJGVIBAFLLIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(12-6-3-9-20-12)16-8-7-13-15(19)17-10-4-1-2-5-11(10)21-13/h1-6,9,13H,7-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide?
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110404630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).