[3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C30H28FN7O2S — CID 56967679

IUPAC[3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc([C@H]2CCCN2C(=O)c2cc(-c3cnccn3)cc(-c3nnc([C@](C)(N)Cc4ccc(F)cc4)o3)c2)n1
InChIInChI=1S/C30H28FN7O2S/c1-18-17-41-27(35-18)25-4-3-11-38(25)28(39)22-13-20(24-16-33-9-10-34-24)12-21(14-22)26-36-37-29(40-26)30(2,32)15-19-5-7-23(31)8-6-19/h5-10,12-14,16-17,25H,3-4,11,15,32H2,1-2H3/t25-,30-/m1/s1
InChIKeyQAGANMXZWMWWEH-FYBSXPHGSA-N
MW569.67 g/mol
LogP5.49
Rot. Bonds7

About [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56967679) has the molecular formula C30H28FN7O2S and a molecular weight of 569.67 g/mol. Its IUPAC name is [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID56967679
Molecular FormulaC30H28FN7O2S
Molecular Weight569.67 g/mol
Exact Mass569.20
IUPAC Name[3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc([C@H]2CCCN2C(=O)c2cc(-c3cnccn3)cc(-c3nnc([C@](C)(N)Cc4ccc(F)cc4)o3)c2)n1
InChIInChI=1S/C30H28FN7O2S/c1-18-17-41-27(35-18)25-4-3-11-38(25)28(39)22-13-20(24-16-33-9-10-34-24)12-21(14-22)26-36-37-29(40-26)30(2,32)15-19-5-7-23(31)8-6-19/h5-10,12-14,16-17,25H,3-4,11,15,32H2,1-2H3/t25-,30-/m1/s1
InChIKeyQAGANMXZWMWWEH-FYBSXPHGSA-N
XLogP5.49
TPSA123.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 56967679) is [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3cnccn3)cc(-c3nnc([C@](C)(N)Cc4ccc(F)cc4)o3)c2)n1.
What is the InChIKey of [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QAGANMXZWMWWEH-FYBSXPHGSA-N. The full InChI is InChI=1S/C30H28FN7O2S/c1-18-17-41-27(35-18)25-4-3-11-38(25)28(39)22-13-20(24-16-33-9-10-34-24)12-21(14-22)26-36-37-29(40-26)30(2,32)15-19-5-7-23(31)8-6-19/h5-10,12-14,16-17,25H,3-4,11,15,32H2,1-2H3/t25-,30-/m1/s1.
What are the key properties of [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 569.67 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2R)-2-amino-1-(4-fluorophenyl)propan-2-yl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-ylphenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56967679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).