3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one

C18H25N5O3 — CID 125021467

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CCOC[C@H]2CCc2cnccn2)n1
InChIInChI=1S/C18H25N5O3/c1-13(2)18-21-16(26-22-18)5-6-17(24)23-9-10-25-12-15(23)4-3-14-11-19-7-8-20-14/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyYJWRTXSESOOEGX-OAHLLOKOSA-N
MW359.43 g/mol
LogP1.78
Rot. Bonds7

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one (PubChem CID 125021467) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
PubChem CID125021467
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CCOC[C@H]2CCc2cnccn2)n1
InChIInChI=1S/C18H25N5O3/c1-13(2)18-21-16(26-22-18)5-6-17(24)23-9-10-25-12-15(23)4-3-14-11-19-7-8-20-14/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyYJWRTXSESOOEGX-OAHLLOKOSA-N
XLogP1.78
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one (CID 125021467) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one is CC(C)c1noc(CCC(=O)N2CCOC[C@H]2CCc2cnccn2)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is YJWRTXSESOOEGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13(2)18-21-16(26-22-18)5-6-17(24)23-9-10-25-12-15(23)4-3-14-11-19-7-8-20-14/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 359.43 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125021467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).