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

C13H25N3O2 — CID 78962718

IUPAC1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(CC(C)C)no1)CC(C)(C)O
InChIInChI=1S/C13H25N3O2/c1-6-16(9-13(4,5)17)8-12-14-11(15-18-12)7-10(2)3/h10,17H,6-9H2,1-5H3
InChIKeyGXTAYVUATQZTNP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.86
Rot. Bonds7

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

1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 78962718) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
PubChem CID78962718
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(CC(C)C)no1)CC(C)(C)O
InChIInChI=1S/C13H25N3O2/c1-6-16(9-13(4,5)17)8-12-14-11(15-18-12)7-10(2)3/h10,17H,6-9H2,1-5H3
InChIKeyGXTAYVUATQZTNP-UHFFFAOYSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol (CID 78962718) is 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol is CCN(Cc1nc(CC(C)C)no1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is GXTAYVUATQZTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-16(9-13(4,5)17)8-12-14-11(15-18-12)7-10(2)3/h10,17H,6-9H2,1-5H3.
What are the key properties of 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).