[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C18H20N4O3 — CID 42530673

IUPAC[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(Cn3cnc4ccccc43)on2)C[C@H](C)O1
InChIInChI=1S/C18H20N4O3/c1-12-8-21(9-13(2)24-12)18(23)16-7-14(25-20-16)10-22-11-19-15-5-3-4-6-17(15)22/h3-7,11-13H,8-10H2,1-2H3/t12-,13+
InChIKeySKOGOMBQWUXBAL-BETUJISGSA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds3

About [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 42530673) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID42530673
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(Cn3cnc4ccccc43)on2)C[C@H](C)O1
InChIInChI=1S/C18H20N4O3/c1-12-8-21(9-13(2)24-12)18(23)16-7-14(25-20-16)10-22-11-19-15-5-3-4-6-17(15)22/h3-7,11-13H,8-10H2,1-2H3/t12-,13+
InChIKeySKOGOMBQWUXBAL-BETUJISGSA-N
XLogP2.32
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
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]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 42530673) is [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc(Cn3cnc4ccccc43)on2)C[C@H](C)O1.
What is the InChIKey of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is SKOGOMBQWUXBAL-BETUJISGSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-8-21(9-13(2)24-12)18(23)16-7-14(25-20-16)10-22-11-19-15-5-3-4-6-17(15)22/h3-7,11-13H,8-10H2,1-2H3/t12-,13+.
What are the key properties of [5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[5-(benzimidazol-1-ylmethyl)-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 2.32, 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]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 42530673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).