(5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol

C9H17N3O2 — CID 147461741

IUPAC(5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol
SMILESCCNC(O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O2/c1-5-10-6(13)7-11-12-8(14-7)9(2,3)4/h6,10,13H,5H2,1-4H3
InChIKeyFABGQOLUHHPPJD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds3

About (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol (PubChem CID 147461741) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol
PubChem CID147461741
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol
SMILESCCNC(O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H17N3O2/c1-5-10-6(13)7-11-12-8(14-7)9(2,3)4/h6,10,13H,5H2,1-4H3
InChIKeyFABGQOLUHHPPJD-UHFFFAOYSA-N
XLogP0.97
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol?
The IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol (CID 147461741) is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol.
What is the SMILES notation for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol?
The canonical SMILES for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol is CCNC(O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol?
The InChIKey is FABGQOLUHHPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5-10-6(13)7-11-12-8(14-7)9(2,3)4/h6,10,13H,5H2,1-4H3.
What are the key properties of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol?
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol has a molecular weight of 199.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-(ethylamino)methanol is sourced from PubChem (CID 147461741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).