2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide

C20H25N3O3 — CID 29087327

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide
SMILESC[C@@H]1CN(C2(C(=O)NCc3ccon3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H25N3O3/c1-14-12-23(13-15(2)26-14)20(9-16-5-3-4-6-17(16)10-20)19(24)21-11-18-7-8-25-22-18/h3-8,14-15H,9-13H2,1-2H3,(H,21,24)/t14-,15+
InChIKeyFFLFNFBFOJLQLE-GASCZTMLSA-N
MW355.44 g/mol
LogP1.94
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 29087327) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide
PubChem CID29087327
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide
SMILESC[C@@H]1CN(C2(C(=O)NCc3ccon3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H25N3O3/c1-14-12-23(13-15(2)26-14)20(9-16-5-3-4-6-17(16)10-20)19(24)21-11-18-7-8-25-22-18/h3-8,14-15H,9-13H2,1-2H3,(H,21,24)/t14-,15+
InChIKeyFFLFNFBFOJLQLE-GASCZTMLSA-N
XLogP1.94
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide (CID 29087327) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide is C[C@@H]1CN(C2(C(=O)NCc3ccon3)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is FFLFNFBFOJLQLE-GASCZTMLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-12-23(13-15(2)26-14)20(9-16-5-3-4-6-17(16)10-20)19(24)21-11-18-7-8-25-22-18/h3-8,14-15H,9-13H2,1-2H3,(H,21,24)/t14-,15+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,2-oxazol-3-ylmethyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 29087327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).