[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C17H23N5O3 — CID 125015057

IUPAC[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1
InChIInChI=1S/C17H23N5O3/c1-5-12-14(11(2)25-20-12)17(23)22-8-9-24-13(10-22)15-16(21(3)4)19-7-6-18-15/h6-7,13H,5,8-10H2,1-4H3/t13-/m0/s1
InChIKeyWQTPKMQOWNEVTK-ZDUSSCGKSA-N
MW345.40 g/mol
LogP1.62
Rot. Bonds4

About [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 125015057) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID125015057
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1
InChIInChI=1S/C17H23N5O3/c1-5-12-14(11(2)25-20-12)17(23)22-8-9-24-13(10-22)15-16(21(3)4)19-7-6-18-15/h6-7,13H,5,8-10H2,1-4H3/t13-/m0/s1
InChIKeyWQTPKMQOWNEVTK-ZDUSSCGKSA-N
XLogP1.62
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 125015057) is [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1.
What is the InChIKey of [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WQTPKMQOWNEVTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-5-12-14(11(2)25-20-12)17(23)22-8-9-24-13(10-22)15-16(21(3)4)19-7-6-18-15/h6-7,13H,5,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 125015057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).