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

C15H21N3O2 — CID 79038116

IUPAC2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol
SMILESCc1ccc(-c2nc(CN(C)CC(C)(C)O)no2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-5-7-12(8-6-11)14-16-13(17-20-14)9-18(4)10-15(2,3)19/h5-8,19H,9-10H2,1-4H3
InChIKeyRCDKHYILNDKYSH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds5

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

2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol (PubChem CID 79038116) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol
PubChem CID79038116
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol
SMILESCc1ccc(-c2nc(CN(C)CC(C)(C)O)no2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-5-7-12(8-6-11)14-16-13(17-20-14)9-18(4)10-15(2,3)19/h5-8,19H,9-10H2,1-4H3
InChIKeyRCDKHYILNDKYSH-UHFFFAOYSA-N
XLogP2.25
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol (CID 79038116) is 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol is Cc1ccc(-c2nc(CN(C)CC(C)(C)O)no2)cc1.
What is the InChIKey of 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol?
The InChIKey is RCDKHYILNDKYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-7-12(8-6-11)14-16-13(17-20-14)9-18(4)10-15(2,3)19/h5-8,19H,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 79038116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).