2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole

C26H27N5O — CID 59345162

IUPAC2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole
SMILESc1cc(-c2ncc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)o2)cc1
InChIInChI=1S/C26H27N5O/c1-3-21(27-13-1)23-15-29-25(31-23)20-11-7-18(8-12-20)17-5-9-19(10-6-17)24-16-30-26(32-24)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)/t21-,22-/m0/s1
InChIKeyARHNOFWULCASJY-VXKWHMMOSA-N
MW425.54 g/mol
LogP5.25
Rot. Bonds5

About 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole

2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole (PubChem CID 59345162) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole
PubChem CID59345162
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole
SMILESc1cc(-c2ncc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)o2)cc1
InChIInChI=1S/C26H27N5O/c1-3-21(27-13-1)23-15-29-25(31-23)20-11-7-18(8-12-20)17-5-9-19(10-6-17)24-16-30-26(32-24)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)/t21-,22-/m0/s1
InChIKeyARHNOFWULCASJY-VXKWHMMOSA-N
XLogP5.25
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole (CID 59345162) is 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole is c1cc(-c2ncc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)o2)cc1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole?
The InChIKey is ARHNOFWULCASJY-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H27N5O/c1-3-21(27-13-1)23-15-29-25(31-23)20-11-7-18(8-12-20)17-5-9-19(10-6-17)24-16-30-26(32-24)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)/t21-,22-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole?
2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole has a molecular weight of 425.54 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[5-[(2S)-pyrrolidin-2-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 59345162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).