[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol

C30H29N3O5 — CID 69217757

About [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol

[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol (PubChem CID 69217757) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol.

Molecular Properties

• Compound Name: [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
• PubChem CID: 69217757
• Molecular Formula: C30H29N3O5
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.21
• IUPAC Name: [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
• SMILES: COc1cc(COc2nn(Cc3ccccc3)cc2CO)ccc1OCc1nc(-c2ccccc2)oc1C
• InChI: InChI=1S/C30H29N3O5/c1-21-26(31-29(38-21)24-11-7-4-8-12-24)20-36-27-14-13-23(15-28(27)35-2)19-37-30-25(18-34)17-33(32-30)16-22-9-5-3-6-10-22/h3-15,17,34H,16,18-20H2,1-2H3
• InChIKey: MCGWTYFLBAMJQK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 91.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol?

The IUPAC name of [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol (CID 69217757) is [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol.

What is the SMILES notation for [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol?

The canonical SMILES for [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol is COc1cc(COc2nn(Cc3ccccc3)cc2CO)ccc1OCc1nc(-c2ccccc2)oc1C.

What is the InChIKey of [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol?

The InChIKey is MCGWTYFLBAMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-21-26(31-29(38-21)24-11-7-4-8-12-24)20-36-27-14-13-23(15-28(27)35-2)19-37-30-25(18-34)17-33(32-30)16-22-9-5-3-6-10-22/h3-15,17,34H,16,18-20H2,1-2H3.

What are the key properties of [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol?

[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol has a molecular weight of 511.58 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol is sourced from PubChem (CID 69217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).