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

C30H26N2O5 — CID 51348024

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

1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 51348024) has the molecular formula C30H26N2O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• PubChem CID: 51348024
• Molecular Formula: C30H26N2O5
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.18
• IUPAC Name: 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• SMILES: Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CN1CC(c2ccccc2)OC1=O
• InChI: InChI=1S/C30H26N2O5/c1-19-25(17-32-18-26(36-29(32)35)22-5-3-2-4-6-22)27(37-31-19)23-9-7-20(8-10-23)21-11-13-24(14-12-21)30(15-16-30)28(33)34/h2-14,26H,15-18H2,1H3,(H,33,34)
• InChIKey: HVLVXQUDRJUBDC-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 51348024) is 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

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

The canonical SMILES for 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CN1CC(c2ccccc2)OC1=O.

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

The InChIKey is HVLVXQUDRJUBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O5/c1-19-25(17-32-18-26(36-29(32)35)22-5-3-2-4-6-22)27(37-31-19)23-9-7-20(8-10-23)21-11-13-24(14-12-21)30(15-16-30)28(33)34/h2-14,26H,15-18H2,1H3,(H,33,34).

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

1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 494.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51348024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).