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

C16H23N3O4 — CID 10358694

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

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10358694) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
• PubChem CID: 10358694
• Molecular Formula: C16H23N3O4
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.17
• IUPAC Name: 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
• SMILES: Cc1noc(COc2ccccc2OCC(O)CNC(C)C)n1
• InChI: InChI=1S/C16H23N3O4/c1-11(2)17-8-13(20)9-21-14-6-4-5-7-15(14)22-10-16-18-12(3)19-23-16/h4-7,11,13,17,20H,8-10H2,1-3H3
• InChIKey: PFWCJCLLWQINLG-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 89.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 10358694) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

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

The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol is Cc1noc(COc2ccccc2OCC(O)CNC(C)C)n1.

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

The InChIKey is PFWCJCLLWQINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11(2)17-8-13(20)9-21-14-6-4-5-7-15(14)22-10-16-18-12(3)19-23-16/h4-7,11,13,17,20H,8-10H2,1-3H3.

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

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 321.38 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10358694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).