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

C10H19N3O2 — CID 62332798

IUPAC1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
SMILESCCCc1noc(CN(C)CC(C)O)n1
InChIInChI=1S/C10H19N3O2/c1-4-5-9-11-10(15-12-9)7-13(3)6-8(2)14/h8,14H,4-7H2,1-3H3
InChIKeyJYIFJGPSIFJVTE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds6

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

1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol (PubChem CID 62332798) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
PubChem CID62332798
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
SMILESCCCc1noc(CN(C)CC(C)O)n1
InChIInChI=1S/C10H19N3O2/c1-4-5-9-11-10(15-12-9)7-13(3)6-8(2)14/h8,14H,4-7H2,1-3H3
InChIKeyJYIFJGPSIFJVTE-UHFFFAOYSA-N
XLogP0.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 115640885
1-cyclopropyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]ethanol
CID 111858607
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 60834394
(2R)-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propane-1,2-diol
CID 124755326
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490108
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110929749
N-ethyl-N-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]ethanamine
CID 131919062

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol (CID 62332798) is 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol is CCCc1noc(CN(C)CC(C)O)n1.
What is the InChIKey of 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
The InChIKey is JYIFJGPSIFJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-9-11-10(15-12-9)7-13(3)6-8(2)14/h8,14H,4-7H2,1-3H3.
What are the key properties of 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol?
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 62332798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).