1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide

C29H25N5O5S — CID 51347420

About 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide

1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 51347420) has the molecular formula C29H25N5O5S and a molecular weight of 555.62 g/mol. Its IUPAC name is 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide
• PubChem CID: 51347420
• Molecular Formula: C29H25N5O5S
• Molecular Weight: 555.62 g/mol
• Exact Mass: 555.16
• IUPAC Name: 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide
• SMILES: Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(C)(=O)=O)CC4)cc3)cc2)c1Nc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C29H25N5O5S/c1-18-24(30-28-32-31-26(38-28)22-6-4-3-5-7-22)25(39-33-18)21-10-8-19(9-11-21)20-12-14-23(15-13-20)29(16-17-29)27(35)34-40(2,36)37/h3-15H,16-17H2,1-2H3,(H,30,32)(H,34,35)
• InChIKey: BSQGRBCTUQHWEL-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 140.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.62
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide?

The IUPAC name of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide (CID 51347420) is 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(C)(=O)=O)CC4)cc3)cc2)c1Nc1nnc(-c2ccccc2)o1.

What is the InChIKey of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide?

The InChIKey is BSQGRBCTUQHWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O5S/c1-18-24(30-28-32-31-26(38-28)22-6-4-3-5-7-22)25(39-33-18)21-10-8-19(9-11-21)20-12-14-23(15-13-20)29(16-17-29)27(35)34-40(2,36)37/h3-15H,16-17H2,1-2H3,(H,30,32)(H,34,35).

What are the key properties of 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide?

1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 555.62 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 51347420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).