3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C18H19N5O2S — CID 95132914

IUPAC3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1nccs1
InChIInChI=1S/C18H19N5O2S/c24-15(20-18-19-9-12-26-18)8-11-23-10-4-7-14(23)17-21-16(22-25-17)13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,19,20,24)/t14-/m1/s1
InChIKeyHGWRCZKMXNXOPH-CQSZACIVSA-N
MW369.45 g/mol
LogP3.36
Rot. Bonds6

About 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95132914) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95132914
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1nccs1
InChIInChI=1S/C18H19N5O2S/c24-15(20-18-19-9-12-26-18)8-11-23-10-4-7-14(23)17-21-16(22-25-17)13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,19,20,24)/t14-/m1/s1
InChIKeyHGWRCZKMXNXOPH-CQSZACIVSA-N
XLogP3.36
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95132914) is 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCN1CCC[C@@H]1c1nc(-c2ccccc2)no1)Nc1nccs1.
What is the InChIKey of 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HGWRCZKMXNXOPH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-15(20-18-19-9-12-26-18)8-11-23-10-4-7-14(23)17-21-16(22-25-17)13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,19,20,24)/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95132914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).