2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H17N5O2S — CID 71783691

IUPAC2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1nccs1
InChIInChI=1S/C17H17N5O2S/c23-15(20-17-18-6-7-25-17)11-22-9-13(10-22)16-19-14(21-24-16)8-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,20,23)
InChIKeyRTNNEYMIIGVCGB-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.15
Rot. Bonds6

About 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71783691) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71783691
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1nccs1
InChIInChI=1S/C17H17N5O2S/c23-15(20-17-18-6-7-25-17)11-22-9-13(10-22)16-19-14(21-24-16)8-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,20,23)
InChIKeyRTNNEYMIIGVCGB-UHFFFAOYSA-N
XLogP2.15
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-oxo-1-(2-phenylethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 4794111
N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784147
2-amino-3-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 87471744
3-[4-[3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-(1,3-thiazol-2-ylamino)propanamide
CID 87471746
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 56319042
N-(thiazol-2-yl)-2-(3-(3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)acetamide oxalate
CID 71784146
1-[(2-Fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 71972980
1-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 97597498
1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 97597499
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 20930009
N-methyl-3-(5-(1-(2-oxo-2-(thiazol-2-ylamino)ethyl)azetidin-3-yl)-1,2,4-oxadiazol-3-yl)benzamide
CID 71784202
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 17602258

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 71783691) is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1nccs1.
What is the InChIKey of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RTNNEYMIIGVCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-15(20-17-18-6-7-25-17)11-22-9-13(10-22)16-19-14(21-24-16)8-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,20,23).
What are the key properties of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71783691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).