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

C19H22N4O3 — CID 26398372

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)no1
InChIInChI=1S/C19H22N4O3/c1-12-9-22(10-13(2)25-12)19(24)17-8-15(26-21-17)11-23-14(3)20-16-6-4-5-7-18(16)23/h4-8,12-13H,9-11H2,1-3H3/t12-,13+
InChIKeyHGIIAQIXHQFEJL-BETUJISGSA-N
MW354.41 g/mol
LogP2.63
Rot. Bonds3

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 26398372) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID26398372
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)no1
InChIInChI=1S/C19H22N4O3/c1-12-9-22(10-13(2)25-12)19(24)17-8-15(26-21-17)11-23-14(3)20-16-6-4-5-7-18(16)23/h4-8,12-13H,9-11H2,1-3H3/t12-,13+
InChIKeyHGIIAQIXHQFEJL-BETUJISGSA-N
XLogP2.63
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (CID 26398372) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is Cc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)no1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is HGIIAQIXHQFEJL-BETUJISGSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-9-22(10-13(2)25-12)19(24)17-8-15(26-21-17)11-23-14(3)20-16-6-4-5-7-18(16)23/h4-8,12-13H,9-11H2,1-3H3/t12-,13+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 26398372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).