4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one

C23H22N2O4S — CID 54128516

About 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one (PubChem CID 54128516) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one
• PubChem CID: 54128516
• Molecular Formula: C23H22N2O4S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.13
• IUPAC Name: 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccccc1CCCc1sc(=O)[nH]c1O
• InChI: InChI=1S/C23H22N2O4S/c1-15-18(24-22(29-15)17-9-3-2-4-10-17)14-28-19-12-6-5-8-16(19)11-7-13-20-21(26)25-23(27)30-20/h2-6,8-10,12,26H,7,11,13-14H2,1H3,(H,25,27)
• InChIKey: NSQNXQUJZJCZDX-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 88.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one?

The IUPAC name of 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one (CID 54128516) is 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one.

What is the SMILES notation for 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one?

The canonical SMILES for 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one is Cc1oc(-c2ccccc2)nc1COc1ccccc1CCCc1sc(=O)[nH]c1O.

What is the InChIKey of 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one?

The InChIKey is NSQNXQUJZJCZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-18(24-22(29-15)17-9-3-2-4-10-17)14-28-19-12-6-5-8-16(19)11-7-13-20-21(26)25-23(27)30-20/h2-6,8-10,12,26H,7,11,13-14H2,1H3,(H,25,27).

What are the key properties of 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one?

4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one has a molecular weight of 422.51 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-[3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54128516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).