1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol

C17H25N5O3 — CID 133383194

IUPAC1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(C)c1noc(-c2ccnc(NCC(O)CN3CCOCC3)c2)n1
InChIInChI=1S/C17H25N5O3/c1-12(2)16-20-17(25-21-16)13-3-4-18-15(9-13)19-10-14(23)11-22-5-7-24-8-6-22/h3-4,9,12,14,23H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyGULAPFGGKXCADT-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.36
Rot. Bonds7

About 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol

1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 133383194) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol
PubChem CID133383194
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(C)c1noc(-c2ccnc(NCC(O)CN3CCOCC3)c2)n1
InChIInChI=1S/C17H25N5O3/c1-12(2)16-20-17(25-21-16)13-3-4-18-15(9-13)19-10-14(23)11-22-5-7-24-8-6-22/h3-4,9,12,14,23H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyGULAPFGGKXCADT-UHFFFAOYSA-N
XLogP1.36
TPSA96.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol (CID 133383194) is 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol is CC(C)c1noc(-c2ccnc(NCC(O)CN3CCOCC3)c2)n1.
What is the InChIKey of 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is GULAPFGGKXCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(2)16-20-17(25-21-16)13-3-4-18-15(9-13)19-10-14(23)11-22-5-7-24-8-6-22/h3-4,9,12,14,23H,5-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol?
1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 133383194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).