[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C16H16N4O3 — CID 26395930

IUPAC[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cn2cnc3ccccc32)on1)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-16(19-5-7-22-8-6-19)14-9-12(23-18-14)10-20-11-17-13-3-1-2-4-15(13)20/h1-4,9,11H,5-8,10H2
InChIKeyGLIHBBVEVCTSJW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.54
Rot. Bonds3

About [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26395930) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID26395930
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cn2cnc3ccccc32)on1)N1CCOCC1
InChIInChI=1S/C16H16N4O3/c21-16(19-5-7-22-8-6-19)14-9-12(23-18-14)10-20-11-17-13-3-1-2-4-15(13)20/h1-4,9,11H,5-8,10H2
InChIKeyGLIHBBVEVCTSJW-UHFFFAOYSA-N
XLogP1.54
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 26395930) is [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(Cn2cnc3ccccc32)on1)N1CCOCC1.
What is the InChIKey of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GLIHBBVEVCTSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-16(19-5-7-22-8-6-19)14-9-12(23-18-14)10-20-11-17-13-3-1-2-4-15(13)20/h1-4,9,11H,5-8,10H2.
What are the key properties of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 312.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26395930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).