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

C14H18ClN3O3 — CID 106398326

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

1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol (PubChem CID 106398326) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
• PubChem CID: 106398326
• Molecular Formula: C14H18ClN3O3
• Molecular Weight: 311.77 g/mol
• Exact Mass: 311.10
• IUPAC Name: 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
• SMILES: Cc1nc(CNCC(O)COCc2ccccc2Cl)no1
• InChI: InChI=1S/C14H18ClN3O3/c1-10-17-14(18-21-10)7-16-6-12(19)9-20-8-11-4-2-3-5-13(11)15/h2-5,12,16,19H,6-9H2,1H3
• InChIKey: ALFGCSFIESVKBV-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 80.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.77
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?

The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol (CID 106398326) is 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol.

What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?

The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol is Cc1nc(CNCC(O)COCc2ccccc2Cl)no1.

What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?

The InChIKey is ALFGCSFIESVKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-10-17-14(18-21-10)7-16-6-12(19)9-20-8-11-4-2-3-5-13(11)15/h2-5,12,16,19H,6-9H2,1H3.

What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?

1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol has a molecular weight of 311.77 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106398326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).