7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C21H16N6O4 — CID 18821725

IUPAC7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1
InChIInChI=1S/C21H16N6O4/c1-12-9-16(25-31-12)23-20(28)14-10-15-19(24-17-6-2-3-7-26(17)21(15)29)27(18(14)22)11-13-5-4-8-30-13/h2-10,22H,11H2,1H3,(H,23,25,28)/b22-18+
InChIKeyVUOFRDACUXPCKC-RELWKKBWSA-N
MW416.40 g/mol
LogP2.32
Rot. Bonds4

About 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 18821725) has the molecular formula C21H16N6O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID18821725
Molecular FormulaC21H16N6O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1
InChIInChI=1S/C21H16N6O4/c1-12-9-16(25-31-12)23-20(28)14-10-15-19(24-17-6-2-3-7-26(17)21(15)29)27(18(14)22)11-13-5-4-8-30-13/h2-10,22H,11H2,1H3,(H,23,25,28)/b22-18+
InChIKeyVUOFRDACUXPCKC-RELWKKBWSA-N
XLogP2.32
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 18821725) is 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1.
What is the InChIKey of 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is VUOFRDACUXPCKC-RELWKKBWSA-N. The full InChI is InChI=1S/C21H16N6O4/c1-12-9-16(25-31-12)23-20(28)14-10-15-19(24-17-6-2-3-7-26(17)21(15)29)27(18(14)22)11-13-5-4-8-30-13/h2-10,22H,11H2,1H3,(H,23,25,28)/b22-18+.
What are the key properties of 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 18821725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).