N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide

C17H15N3O2 — CID 665995

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(12-4-2-1-3-5-12)18-13-6-7-15-14(10-13)19-16-11-22-9-8-20(15)16/h1-7,10H,8-9,11H2,(H,18,21)
InChIKeyPGYJQJJYBJAZKI-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.82
Rot. Bonds2

About N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide (PubChem CID 665995) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide
PubChem CID665995
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(12-4-2-1-3-5-12)18-13-6-7-15-14(10-13)19-16-11-22-9-8-20(15)16/h1-7,10H,8-9,11H2,(H,18,21)
InChIKeyPGYJQJJYBJAZKI-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide (CID 665995) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide is O=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide?
The InChIKey is PGYJQJJYBJAZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(12-4-2-1-3-5-12)18-13-6-7-15-14(10-13)19-16-11-22-9-8-20(15)16/h1-7,10H,8-9,11H2,(H,18,21).
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide is sourced from PubChem (CID 665995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).