5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one

C9H17N3O3 — CID 59065720

IUPAC5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one
SMILESCCn1nc(C(O)C(N)C(C)C)oc1=O
InChIInChI=1S/C9H17N3O3/c1-4-12-9(14)15-8(11-12)7(13)6(10)5(2)3/h5-7,13H,4,10H2,1-3H3
InChIKeyCYMPMJLISQAQHA-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.13
Rot. Bonds4

About 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one

5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one (PubChem CID 59065720) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one
PubChem CID59065720
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one
SMILESCCn1nc(C(O)C(N)C(C)C)oc1=O
InChIInChI=1S/C9H17N3O3/c1-4-12-9(14)15-8(11-12)7(13)6(10)5(2)3/h5-7,13H,4,10H2,1-3H3
InChIKeyCYMPMJLISQAQHA-UHFFFAOYSA-N
XLogP-0.13
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one (CID 59065720) is 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one is CCn1nc(C(O)C(N)C(C)C)oc1=O.
What is the InChIKey of 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one?
The InChIKey is CYMPMJLISQAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-4-12-9(14)15-8(11-12)7(13)6(10)5(2)3/h5-7,13H,4,10H2,1-3H3.
What are the key properties of 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one?
5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one has a molecular weight of 215.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxy-3-methylbutyl)-3-ethyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 59065720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).