3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide

C14H19N5O4S — CID 75767322

IUPAC3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NC3CCS(=O)(=O)C3)o2)n(C)n1
InChIInChI=1S/C14H19N5O4S/c1-9-7-11(19(2)18-9)14-17-16-13(23-14)4-3-12(20)15-10-5-6-24(21,22)8-10/h7,10H,3-6,8H2,1-2H3,(H,15,20)
InChIKeyJKCDIIJQZRALQP-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.01
Rot. Bonds5

About 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide

3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 75767322) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID75767322
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NC3CCS(=O)(=O)C3)o2)n(C)n1
InChIInChI=1S/C14H19N5O4S/c1-9-7-11(19(2)18-9)14-17-16-13(23-14)4-3-12(20)15-10-5-6-24(21,22)8-10/h7,10H,3-6,8H2,1-2H3,(H,15,20)
InChIKeyJKCDIIJQZRALQP-UHFFFAOYSA-N
XLogP0.01
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18109683
3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 75767320
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 31479026
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95612923
N-(1,1-dioxothiolan-3-yl)-3-(1-methylindol-3-yl)propanamide
CID 71702598
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide (CID 75767322) is 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide is Cc1cc(-c2nnc(CCC(=O)NC3CCS(=O)(=O)C3)o2)n(C)n1.
What is the InChIKey of 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is JKCDIIJQZRALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-9-7-11(19(2)18-9)14-17-16-13(23-14)4-3-12(20)15-10-5-6-24(21,22)8-10/h7,10H,3-6,8H2,1-2H3,(H,15,20).
What are the key properties of 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 75767322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).