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

C10H19N3O2 — CID 115773273

IUPAC2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
SMILESCCCc1nc(CN(C)C(C)CO)no1
InChIInChI=1S/C10H19N3O2/c1-4-5-10-11-9(12-15-10)6-13(3)8(2)7-14/h8,14H,4-7H2,1-3H3
InChIKeyAYLKFHGWITWLSL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds6

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

2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol (PubChem CID 115773273) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
PubChem CID115773273
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
SMILESCCCc1nc(CN(C)C(C)CO)no1
InChIInChI=1S/C10H19N3O2/c1-4-5-10-11-9(12-15-10)6-13(3)8(2)7-14/h8,14H,4-7H2,1-3H3
InChIKeyAYLKFHGWITWLSL-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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol (CID 115773273) is 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol is CCCc1nc(CN(C)C(C)CO)no1.
What is the InChIKey of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
The InChIKey is AYLKFHGWITWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-10-11-9(12-15-10)6-13(3)8(2)7-14/h8,14H,4-7H2,1-3H3.
What are the key properties of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-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 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115773273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).