1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide

C16H17N5O2 — CID 91907258

IUPAC1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)nn1C
InChIInChI=1S/C16H17N5O2/c1-11-10-13(19-21(11)2)15(22)17-9-8-14-18-16(23-20-14)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyNWSGVTBRNRZZOW-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.75
Rot. Bonds5

About 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 91907258) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
PubChem CID91907258
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)nn1C
InChIInChI=1S/C16H17N5O2/c1-11-10-13(19-21(11)2)15(22)17-9-8-14-18-16(23-20-14)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyNWSGVTBRNRZZOW-UHFFFAOYSA-N
XLogP1.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86284965
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70723086
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 90650826
2-[(2-methylphenyl)methylsulfanyl]-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90648615
2-(2-phenylimidazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 72927386
1-(2-methoxyphenyl)-4-methyl-2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172669693
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 131893713
2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77079049
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide (CID 91907258) is 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is NWSGVTBRNRZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-10-13(19-21(11)2)15(22)17-9-8-14-18-16(23-20-14)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,22).
What are the key properties of 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91907258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).