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

C8H15N3O3 — CID 79614154

IUPAC3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCOC(C)c1noc(C(N)CCO)n1
InChIInChI=1S/C8H15N3O3/c1-5(13-2)7-10-8(14-11-7)6(9)3-4-12/h5-6,12H,3-4,9H2,1-2H3
InChIKeyPZEKMPNEXPQHFV-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.16
Rot. Bonds5

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

3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79614154) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79614154
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCOC(C)c1noc(C(N)CCO)n1
InChIInChI=1S/C8H15N3O3/c1-5(13-2)7-10-8(14-11-7)6(9)3-4-12/h5-6,12H,3-4,9H2,1-2H3
InChIKeyPZEKMPNEXPQHFV-UHFFFAOYSA-N
XLogP0.16
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79614154) is 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is COC(C)c1noc(C(N)CCO)n1.
What is the InChIKey of 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is PZEKMPNEXPQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(13-2)7-10-8(14-11-7)6(9)3-4-12/h5-6,12H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 201.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79614154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).