[(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

C27H27BrN6O5S — CID 67514177

About [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

[(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (PubChem CID 67514177) has the molecular formula C27H27BrN6O5S and a molecular weight of 627.52 g/mol. Its IUPAC name is [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• PubChem CID: 67514177
• Molecular Formula: C27H27BrN6O5S
• Molecular Weight: 627.52 g/mol
• Exact Mass: 626.09
• IUPAC Name: [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• SMILES: COc1cc(-c2nnc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)cc(C(=O)N2CCC[C@@H]2c2nc(C)c(Br)s2)n1
• InChI: InChI=1S/C27H27BrN6O5S/c1-15-21(28)40-23(29-15)19-10-7-11-34(19)24(35)18-12-17(13-20(30-18)38-3)22-32-33-25(39-22)27(2,31-26(36)37)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,19,31H,7,10-11,14H2,1-3H3,(H,36,37)/t19-,27-/m1/s1
• InChIKey: WXAOUWIIYCFWFC-XHCCPWGMSA-N
• XLogP: 5.37
• TPSA: 143.57 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	627.52
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (CID 67514177) is [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is COc1cc(-c2nnc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)cc(C(=O)N2CCC[C@@H]2c2nc(C)c(Br)s2)n1.

What is the InChIKey of [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The InChIKey is WXAOUWIIYCFWFC-XHCCPWGMSA-N. The full InChI is InChI=1S/C27H27BrN6O5S/c1-15-21(28)40-23(29-15)19-10-7-11-34(19)24(35)18-12-17(13-20(30-18)38-3)22-32-33-25(39-22)27(2,31-26(36)37)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,19,31H,7,10-11,14H2,1-3H3,(H,36,37)/t19-,27-/m1/s1.

What are the key properties of [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

[(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 627.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[2-[(2R)-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-methoxy-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67514177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).