2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole

C35H35N5O5 — CID 69217586

About 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole

2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole (PubChem CID 69217586) has the molecular formula C35H35N5O5 and a molecular weight of 605.70 g/mol. Its IUPAC name is 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole
• PubChem CID: 69217586
• Molecular Formula: C35H35N5O5
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.26
• IUPAC Name: 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole
• SMILES: CCCc1nnc(CCc2cc(OCc3ccc(OCc4nc(-c5ccccc5)oc4C)c(OC)c3)nn2-c2ccccc2)o1
• InChI: InChI=1S/C35H35N5O5/c1-4-11-32-37-38-33(45-32)19-17-28-21-34(39-40(28)27-14-9-6-10-15-27)43-22-25-16-18-30(31(20-25)41-3)42-23-29-24(2)44-35(36-29)26-12-7-5-8-13-26/h5-10,12-16,18,20-21H,4,11,17,19,22-23H2,1-3H3
• InChIKey: UCUNRWNRRDSUKH-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 110.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole?

The IUPAC name of 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole (CID 69217586) is 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(CCc2cc(OCc3ccc(OCc4nc(-c5ccccc5)oc4C)c(OC)c3)nn2-c2ccccc2)o1.

What is the InChIKey of 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole?

The InChIKey is UCUNRWNRRDSUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N5O5/c1-4-11-32-37-38-33(45-32)19-17-28-21-34(39-40(28)27-14-9-6-10-15-27)43-22-25-16-18-30(31(20-25)41-3)42-23-29-24(2)44-35(36-29)26-12-7-5-8-13-26/h5-10,12-16,18,20-21H,4,11,17,19,22-23H2,1-3H3.

What are the key properties of 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole?

2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 605.70 g/mol, XLogP of 7.12, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 69217586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).