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

C9H17N3O3 — CID 62015929

IUPAC1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1nc(C)no1
InChIInChI=1S/C9H17N3O3/c1-7-10-9(15-11-7)5-12(2)4-8(13)6-14-3/h8,13H,4-6H2,1-3H3
InChIKeyQOKOBFJTXQMZKC-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.18
Rot. Bonds6

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

1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol (PubChem CID 62015929) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
PubChem CID62015929
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1nc(C)no1
InChIInChI=1S/C9H17N3O3/c1-7-10-9(15-11-7)5-12(2)4-8(13)6-14-3/h8,13H,4-6H2,1-3H3
InChIKeyQOKOBFJTXQMZKC-UHFFFAOYSA-N
XLogP-0.18
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol (CID 62015929) is 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol is COCC(O)CN(C)Cc1nc(C)no1.
What is the InChIKey of 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
The InChIKey is QOKOBFJTXQMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7-10-9(15-11-7)5-12(2)4-8(13)6-14-3/h8,13H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 215.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 62015929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).