(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone

C13H12N2O3 — CID 82294082

IUPAC(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone
SMILESNc1cccc2c1OCCN2C(=O)c1ccco1
InChIInChI=1S/C13H12N2O3/c14-9-3-1-4-10-12(9)18-8-6-15(10)13(16)11-5-2-7-17-11/h1-5,7H,6,8,14H2
InChIKeyLUVAOBOTCXFKNK-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.90
Rot. Bonds1

About (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone

(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone (PubChem CID 82294082) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone
PubChem CID82294082
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone
SMILESNc1cccc2c1OCCN2C(=O)c1ccco1
InChIInChI=1S/C13H12N2O3/c14-9-3-1-4-10-12(9)18-8-6-15(10)13(16)11-5-2-7-17-11/h1-5,7H,6,8,14H2
InChIKeyLUVAOBOTCXFKNK-UHFFFAOYSA-N
XLogP1.90
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone
CID 110670703
(8-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
CID 82084861
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
azepan-1-yl(furan-2-yl)methanone
CID 5200992
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 17476381
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid
CID 75539457
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone?
The IUPAC name of (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone (CID 82294082) is (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone?
The canonical SMILES for (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone is Nc1cccc2c1OCCN2C(=O)c1ccco1.
What is the InChIKey of (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone?
The InChIKey is LUVAOBOTCXFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-9-3-1-4-10-12(9)18-8-6-15(10)13(16)11-5-2-7-17-11/h1-5,7H,6,8,14H2.
What are the key properties of (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone?
(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone has a molecular weight of 244.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 82294082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).