3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide

C18H12N2O5 — CID 177373926

IUPAC3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide
SMILESCc1noc2c1C(=O)c1oc(C(=O)Nc3ccccc3)c(C)c1C2=O
InChIInChI=1S/C18H12N2O5/c1-8-11-13(21)17-12(9(2)20-25-17)14(22)16(11)24-15(8)18(23)19-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,19,23)
InChIKeyMFWWESTXIIWKOU-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.91
Rot. Bonds2

About 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide

3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide (PubChem CID 177373926) has the molecular formula C18H12N2O5 and a molecular weight of 336.30 g/mol. Its IUPAC name is 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide
PubChem CID177373926
Molecular FormulaC18H12N2O5
Molecular Weight336.30 g/mol
Exact Mass336.07
IUPAC Name3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide
SMILESCc1noc2c1C(=O)c1oc(C(=O)Nc3ccccc3)c(C)c1C2=O
InChIInChI=1S/C18H12N2O5/c1-8-11-13(21)17-12(9(2)20-25-17)14(22)16(11)24-15(8)18(23)19-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,19,23)
InChIKeyMFWWESTXIIWKOU-UHFFFAOYSA-N
XLogP2.91
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3,6,6-trimethyl-4-oxo-N-phenyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 972766
N,3-dimethyl-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
CID 175902717
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-phenyl-2-sulfamoylpyridine-3-carboxamide
CID 67763909
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
CID 70059267
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide
CID 146080882
(4Z)-N-(4-iodophenyl)-3,6,6-trimethyl-4-(phenylhydrazinylidene)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835306

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide?
The IUPAC name of 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide (CID 177373926) is 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide.
What is the SMILES notation for 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide?
The canonical SMILES for 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide is Cc1noc2c1C(=O)c1oc(C(=O)Nc3ccccc3)c(C)c1C2=O.
What is the InChIKey of 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide?
The InChIKey is MFWWESTXIIWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O5/c1-8-11-13(21)17-12(9(2)20-25-17)14(22)16(11)24-15(8)18(23)19-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,19,23).
What are the key properties of 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide?
3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4,8-dioxo-N-phenylfuro[2,3-f][1,2]benzoxazole-6-carboxamide is sourced from PubChem (CID 177373926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).