[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol

C12H22N4O3 — CID 106965567

IUPAC[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
SMILESCCCNC(C)c1nnc(N2CCOCC2CO)o1
InChIInChI=1S/C12H22N4O3/c1-3-4-13-9(2)11-14-15-12(19-11)16-5-6-18-8-10(16)7-17/h9-10,13,17H,3-8H2,1-2H3
InChIKeyCXXUZMOCLIRMQD-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.33
Rot. Bonds6

About [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol

[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol (PubChem CID 106965567) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
PubChem CID106965567
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
SMILESCCCNC(C)c1nnc(N2CCOCC2CO)o1
InChIInChI=1S/C12H22N4O3/c1-3-4-13-9(2)11-14-15-12(19-11)16-5-6-18-8-10(16)7-17/h9-10,13,17H,3-8H2,1-2H3
InChIKeyCXXUZMOCLIRMQD-UHFFFAOYSA-N
XLogP0.33
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol?
The IUPAC name of [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol (CID 106965567) is [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol is CCCNC(C)c1nnc(N2CCOCC2CO)o1.
What is the InChIKey of [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol?
The InChIKey is CXXUZMOCLIRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-4-13-9(2)11-14-15-12(19-11)16-5-6-18-8-10(16)7-17/h9-10,13,17H,3-8H2,1-2H3.
What are the key properties of [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol?
[4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol has a molecular weight of 270.33 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol is sourced from PubChem (CID 106965567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).