2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole

C22H23N3O2 — CID 68658251

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESC[C@@H]1CN(c2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)C[C@H](C)O1
InChIInChI=1S/C22H23N3O2/c1-14-12-25(13-15(2)26-14)22-23-19-11-17(5-7-21(19)27-22)16-4-6-20-18(10-16)8-9-24(20)3/h4-11,14-15H,12-13H2,1-3H3/t14-,15+
InChIKeyVSOOOWVMGZUCQS-GASCZTMLSA-N
MW361.45 g/mol
LogP4.60
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole (PubChem CID 68658251) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole
PubChem CID68658251
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESC[C@@H]1CN(c2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)C[C@H](C)O1
InChIInChI=1S/C22H23N3O2/c1-14-12-25(13-15(2)26-14)22-23-19-11-17(5-7-21(19)27-22)16-4-6-20-18(10-16)8-9-24(20)3/h4-11,14-15H,12-13H2,1-3H3/t14-,15+
InChIKeyVSOOOWVMGZUCQS-GASCZTMLSA-N
XLogP4.60
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
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]-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole (CID 68658251) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole is C[C@@H]1CN(c2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The InChIKey is VSOOOWVMGZUCQS-GASCZTMLSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-12-25(13-15(2)26-14)22-23-19-11-17(5-7-21(19)27-22)16-4-6-20-18(10-16)8-9-24(20)3/h4-11,14-15H,12-13H2,1-3H3/t14-,15+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1-methylindol-5-yl)-1,3-benzoxazole has a molecular weight of 361.45 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 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]-5-(1-methylindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 68658251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).