5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole

C8H14N2O2 — CID 90326124

IUPAC5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOC(C)c1nc(C(C)C)no1
InChIInChI=1S/C8H14N2O2/c1-5(2)7-9-8(12-10-7)6(3)11-4/h5-6H,1-4H3
InChIKeyKPYMFTWHQSVQRF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.90
Rot. Bonds3

About 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole

5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 90326124) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID90326124
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOC(C)c1nc(C(C)C)no1
InChIInChI=1S/C8H14N2O2/c1-5(2)7-9-8(12-10-7)6(3)11-4/h5-6H,1-4H3
InChIKeyKPYMFTWHQSVQRF-UHFFFAOYSA-N
XLogP1.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 90326124) is 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole is COC(C)c1nc(C(C)C)no1.
What is the InChIKey of 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is KPYMFTWHQSVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)7-9-8(12-10-7)6(3)11-4/h5-6H,1-4H3.
What are the key properties of 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 170.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90326124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).