2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol

C7H14N4O2 — CID 103436921

IUPAC2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-5(2)11(3-4-12)7-10-9-6(8)13-7/h5,12H,3-4H2,1-2H3,(H2,8,9)
InChIKeyJTQWYODZQGDOGN-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.14
Rot. Bonds4

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

2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol (PubChem CID 103436921) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
PubChem CID103436921
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-5(2)11(3-4-12)7-10-9-6(8)13-7/h5,12H,3-4H2,1-2H3,(H2,8,9)
InChIKeyJTQWYODZQGDOGN-UHFFFAOYSA-N
XLogP-0.14
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol (CID 103436921) is 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol is CC(C)N(CCO)c1nnc(N)o1.
What is the InChIKey of 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol?
The InChIKey is JTQWYODZQGDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5(2)11(3-4-12)7-10-9-6(8)13-7/h5,12H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol?
2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol has a molecular weight of 186.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 103436921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).