N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C15H14N2O4 — CID 2145420

IUPACN-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1CC(=O)Oc2ccccc21)NCc1ccco1
InChIInChI=1S/C15H14N2O4/c18-14(16-8-11-4-3-7-20-11)9-17-10-15(19)21-13-6-2-1-5-12(13)17/h1-7H,8-10H2,(H,16,18)
InChIKeyMIZFYLTUIYNNTA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.32
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 2145420) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID2145420
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1CC(=O)Oc2ccccc21)NCc1ccco1
InChIInChI=1S/C15H14N2O4/c18-14(16-8-11-4-3-7-20-11)9-17-10-15(19)21-13-6-2-1-5-12(13)17/h1-7H,8-10H2,(H,16,18)
InChIKeyMIZFYLTUIYNNTA-UHFFFAOYSA-N
XLogP1.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837645
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(4-fluorophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837565
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579787
N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929035
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 44777449
N-(6-methoxy-3-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56762271

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 2145420) is N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is O=C(CN1CC(=O)Oc2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is MIZFYLTUIYNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(16-8-11-4-3-7-20-11)9-17-10-15(19)21-13-6-2-1-5-12(13)17/h1-7H,8-10H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 286.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 2145420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).