5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H19N5O3S — CID 126471364

IUPAC5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCCn2nc(-c3cccs3)oc2=O)n[nH]1
InChIInChI=1S/C16H19N5O3S/c1-16(2,3)12-9-10(18-19-12)13(22)17-6-7-21-15(23)24-14(20-21)11-5-4-8-25-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyVQDWMZULZPGXMV-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.02
Rot. Bonds5

About 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 126471364) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID126471364
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCCn2nc(-c3cccs3)oc2=O)n[nH]1
InChIInChI=1S/C16H19N5O3S/c1-16(2,3)12-9-10(18-19-12)13(22)17-6-7-21-15(23)24-14(20-21)11-5-4-8-25-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyVQDWMZULZPGXMV-UHFFFAOYSA-N
XLogP2.02
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-Methyltetrahydro-2H-pyran-4-YL)methyl]-3-(2-thienyl)-1H-pyrazole-5-carboxamide
CID 71686918
N-{2-[[(3-tert-butyl-1H-pyrazol-5-yl)methyl](methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 50950024
N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24567891
5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 45830613
5-propan-2-yl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 45908477
5-propan-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 45908830
N-{2-[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 46990475
5-propan-2-yl-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 51958918
5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 51958919
5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 51959094
5-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 51959096
methyl 4-[[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]methyl]benzoate
CID 55738909

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 126471364) is 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NCCn2nc(-c3cccs3)oc2=O)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VQDWMZULZPGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-16(2,3)12-9-10(18-19-12)13(22)17-6-7-21-15(23)24-14(20-21)11-5-4-8-25-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126471364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).