N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C19H16N2O2 — CID 6621442

IUPACN-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C19H16N2O2/c22-19(20-12-13-6-2-1-3-7-13)17-16-11-10-14-8-4-5-9-15(14)18(16)23-21-17/h1-9H,10-12H2,(H,20,22)
InChIKeyVJJDZJHIAVEDQD-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.37
Rot. Bonds3

About N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 6621442) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID6621442
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C19H16N2O2/c22-19(20-12-13-6-2-1-3-7-13)17-16-11-10-14-8-4-5-9-15(14)18(16)23-21-17/h1-9H,10-12H2,(H,20,22)
InChIKeyVJJDZJHIAVEDQD-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 6621442) is N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is O=C(NCc1ccccc1)c1noc2c1CCc1ccccc1-2.
What is the InChIKey of N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is VJJDZJHIAVEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(20-12-13-6-2-1-3-7-13)17-16-11-10-14-8-4-5-9-15(14)18(16)23-21-17/h1-9H,10-12H2,(H,20,22).
What are the key properties of N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 6621442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).