2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride

C21H25ClN2O3 — CID 71486965

About 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride

2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride (PubChem CID 71486965) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
• PubChem CID: 71486965
• Molecular Formula: C21H25ClN2O3
• Molecular Weight: 388.90 g/mol
• Exact Mass: 388.16
• IUPAC Name: 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
• SMILES: Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1.Cl
• InChI: InChI=1S/C21H24N2O3.ClH/c1-15-23-20(12-26-15)19-8-6-18(7-9-19)17-4-2-16(3-5-17)10-11-21(22,13-24)14-25;/h2-9,12,24-25H,10-11,13-14,22H2,1H3;1H
• InChIKey: WABVWKLRARYMHX-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 92.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.90
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?

The IUPAC name of 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride (CID 71486965) is 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride.

What is the SMILES notation for 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?

The canonical SMILES for 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride is Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1.Cl.

What is the InChIKey of 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?

The InChIKey is WABVWKLRARYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-15-23-20(12-26-15)19-8-6-18(7-9-19)17-4-2-16(3-5-17)10-11-21(22,13-24)14-25;/h2-9,12,24-25H,10-11,13-14,22H2,1H3;1H.

What are the key properties of 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride?

2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[2-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride is sourced from PubChem (CID 71486965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).