1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C30H25N3O4 — CID 52915184

About 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 52915184) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• PubChem CID: 52915184
• Molecular Formula: C30H25N3O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.18
• IUPAC Name: 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• SMILES: Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Cc1nnc(Cc2ccccc2)o1
• InChI: InChI=1S/C30H25N3O4/c1-19-25(18-27-32-31-26(36-27)17-20-5-3-2-4-6-20)28(37-33-19)23-9-7-21(8-10-23)22-11-13-24(14-12-22)30(15-16-30)29(34)35/h2-14H,15-18H2,1H3,(H,34,35)
• InChIKey: YIVXBJZCZXVULX-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 102.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 52915184) is 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Cc1nnc(Cc2ccccc2)o1.

What is the InChIKey of 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

The InChIKey is YIVXBJZCZXVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-19-25(18-27-32-31-26(36-27)17-20-5-3-2-4-6-20)28(37-33-19)23-9-7-21(8-10-23)22-11-13-24(14-12-22)30(15-16-30)29(34)35/h2-14H,15-18H2,1H3,(H,34,35).

What are the key properties of 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 491.55 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 52915184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).