2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C18H20N4O2S — CID 92598830

IUPAC2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1CN1CCC[C@@H]1c1nnc(-c2scnc2C)o1
InChIInChI=1S/C18H20N4O2S/c1-12-16(25-11-19-12)18-21-20-17(24-18)14-7-5-9-22(14)10-13-6-3-4-8-15(13)23-2/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyZCQJVPKFDYLUJL-CQSZACIVSA-N
MW356.45 g/mol
LogP3.85
Rot. Bonds5

About 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598830) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598830
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1CN1CCC[C@@H]1c1nnc(-c2scnc2C)o1
InChIInChI=1S/C18H20N4O2S/c1-12-16(25-11-19-12)18-21-20-17(24-18)14-7-5-9-22(14)10-13-6-3-4-8-15(13)23-2/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyZCQJVPKFDYLUJL-CQSZACIVSA-N
XLogP3.85
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598830) is 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is COc1ccccc1CN1CCC[C@@H]1c1nnc(-c2scnc2C)o1.
What is the InChIKey of 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is ZCQJVPKFDYLUJL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-16(25-11-19-12)18-21-20-17(24-18)14-7-5-9-22(14)10-13-6-3-4-8-15(13)23-2/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 356.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).