1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol

C21H30N2O3 — CID 56633979

About 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol

1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (PubChem CID 56633979) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
• PubChem CID: 56633979
• Molecular Formula: C21H30N2O3
• Molecular Weight: 358.48 g/mol
• Exact Mass: 358.23
• IUPAC Name: 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
• SMILES: CC(C)c1cc(C=Cc2ccccc2OCC(O)CNC(C)(C)C)on1
• InChI: InChI=1S/C21H30N2O3/c1-15(2)19-12-18(26-23-19)11-10-16-8-6-7-9-20(16)25-14-17(24)13-22-21(3,4)5/h6-12,15,17,22,24H,13-14H2,1-5H3
• InChIKey: HNNCFZVGKUICBM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 67.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?

The IUPAC name of 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol (CID 56633979) is 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is CC(C)c1cc(C=Cc2ccccc2OCC(O)CNC(C)(C)C)on1.

What is the InChIKey of 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?

The InChIKey is HNNCFZVGKUICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)19-12-18(26-23-19)11-10-16-8-6-7-9-20(16)25-14-17(24)13-22-21(3,4)5/h6-12,15,17,22,24H,13-14H2,1-5H3.

What are the key properties of 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol?

1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol has a molecular weight of 358.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(tert-butylamino)-3-[2-[2-(3-propan-2-yl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 56633979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).