[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone

C24H21FN4O2S — CID 10275565

IUPAC[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2cccc(F)c2)s1
InChIInChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)17-9-5-10-18(25)13-17)24(30)29-12-6-11-19(29)14-20-27-28-23(31-20)16-7-3-2-4-8-16/h2-5,7-10,13,19H,6,11-12,14H2,1H3/t19-/m0/s1
InChIKeyOXXYAXCEOAWQQT-IBGZPJMESA-N
MW448.52 g/mol
LogP5.15
Rot. Bonds5

About [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone

[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 10275565) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID10275565
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC Name[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2cccc(F)c2)s1
InChIInChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)17-9-5-10-18(25)13-17)24(30)29-12-6-11-19(29)14-20-27-28-23(31-20)16-7-3-2-4-8-16/h2-5,7-10,13,19H,6,11-12,14H2,1H3/t19-/m0/s1
InChIKeyOXXYAXCEOAWQQT-IBGZPJMESA-N
XLogP5.15
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 10275565) is [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone is Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2cccc(F)c2)s1.
What is the InChIKey of [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is OXXYAXCEOAWQQT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)17-9-5-10-18(25)13-17)24(30)29-12-6-11-19(29)14-20-27-28-23(31-20)16-7-3-2-4-8-16/h2-5,7-10,13,19H,6,11-12,14H2,1H3/t19-/m0/s1.
What are the key properties of [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 448.52 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 10275565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).