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

C8H15N3O2 — CID 116809019

IUPAC1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCN(C)c1noc(CC(C)O)n1
InChIInChI=1S/C8H15N3O2/c1-4-11(3)8-9-7(13-10-8)5-6(2)12/h6,12H,4-5H2,1-3H3
InChIKeyCTNYCYAUHYUNJC-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.45
Rot. Bonds4

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

1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 116809019) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID116809019
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCN(C)c1noc(CC(C)O)n1
InChIInChI=1S/C8H15N3O2/c1-4-11(3)8-9-7(13-10-8)5-6(2)12/h6,12H,4-5H2,1-3H3
InChIKeyCTNYCYAUHYUNJC-UHFFFAOYSA-N
XLogP0.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116809022
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809384
O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116808238
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116808870
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
N-ethyl-N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-amine
CID 116808396
5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808252
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808322

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 116809019) is 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol is CCN(C)c1noc(CC(C)O)n1.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is CTNYCYAUHYUNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-11(3)8-9-7(13-10-8)5-6(2)12/h6,12H,4-5H2,1-3H3.
What are the key properties of 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 185.23 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 116809019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).