1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol

C13H19N3O3 — CID 79389456

IUPAC1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1noc(-c2ccco2)n1)CC(C)(C)O
InChIInChI=1S/C13H19N3O3/c1-4-16(9-13(2,3)17)8-11-14-12(19-15-11)10-6-5-7-18-10/h5-7,17H,4,8-9H2,1-3H3
InChIKeyVMDGWKOLLMPHTJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds6

About 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 79389456) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
PubChem CID79389456
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1noc(-c2ccco2)n1)CC(C)(C)O
InChIInChI=1S/C13H19N3O3/c1-4-16(9-13(2,3)17)8-11-14-12(19-15-11)10-6-5-7-18-10/h5-7,17H,4,8-9H2,1-3H3
InChIKeyVMDGWKOLLMPHTJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol (CID 79389456) is 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol is CCN(Cc1noc(-c2ccco2)n1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is VMDGWKOLLMPHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16(9-13(2,3)17)8-11-14-12(19-15-11)10-6-5-7-18-10/h5-7,17H,4,8-9H2,1-3H3.
What are the key properties of 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 265.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).