5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide

C20H16N4O4 — CID 167989756

IUPAC5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)c2noc3c2CCc2ccccc2-3)cc(C(N)=O)c1
InChIInChI=1S/C20H16N4O4/c21-18(25)11-7-12(19(22)26)9-13(8-11)23-20(27)16-15-6-5-10-3-1-2-4-14(10)17(15)28-24-16/h1-4,7-9H,5-6H2,(H2,21,25)(H2,22,26)(H,23,27)
InChIKeyBLTMZGVEZCILCZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.89
Rot. Bonds4

About 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide

5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide (PubChem CID 167989756) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
PubChem CID167989756
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)c2noc3c2CCc2ccccc2-3)cc(C(N)=O)c1
InChIInChI=1S/C20H16N4O4/c21-18(25)11-7-12(19(22)26)9-13(8-11)23-20(27)16-15-6-5-10-3-1-2-4-14(10)17(15)28-24-16/h1-4,7-9H,5-6H2,(H2,21,25)(H2,22,26)(H,23,27)
InChIKeyBLTMZGVEZCILCZ-UHFFFAOYSA-N
XLogP1.89
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide (CID 167989756) is 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide is NC(=O)c1cc(NC(=O)c2noc3c2CCc2ccccc2-3)cc(C(N)=O)c1.
What is the InChIKey of 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide?
The InChIKey is BLTMZGVEZCILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c21-18(25)11-7-12(19(22)26)9-13(8-11)23-20(27)16-15-6-5-10-3-1-2-4-14(10)17(15)28-24-16/h1-4,7-9H,5-6H2,(H2,21,25)(H2,22,26)(H,23,27).
What are the key properties of 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide?
5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide has a molecular weight of 376.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 167989756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).