2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol

C13H17N3O2 — CID 113236560

IUPAC2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol
SMILESCc1nonc1CNC(C)(CO)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-10-12(16-18-15-10)8-14-13(2,9-17)11-6-4-3-5-7-11/h3-7,14,17H,8-9H2,1-2H3
InChIKeyIGBNXGLYQQSGBS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.38
Rot. Bonds5

About 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol

2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 113236560) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID113236560
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol
SMILESCc1nonc1CNC(C)(CO)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-10-12(16-18-15-10)8-14-13(2,9-17)11-6-4-3-5-7-11/h3-7,14,17H,8-9H2,1-2H3
InChIKeyIGBNXGLYQQSGBS-UHFFFAOYSA-N
XLogP1.38
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol (CID 113236560) is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol is Cc1nonc1CNC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is IGBNXGLYQQSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-12(16-18-15-10)8-14-13(2,9-17)11-6-4-3-5-7-11/h3-7,14,17H,8-9H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol?
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 113236560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).