4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide

C19H23N5O2 — CID 55766144

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2cccc(-n3cccn3)c2)n1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)18-22-17(26-23-18)10-5-9-16(25)21-14-7-4-8-15(13-14)24-12-6-11-20-24/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,21,25)
InChIKeyHFQSFDPJSWWSBT-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.51
Rot. Bonds6

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide (PubChem CID 55766144) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
PubChem CID55766144
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)Nc2cccc(-n3cccn3)c2)n1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)18-22-17(26-23-18)10-5-9-16(25)21-14-7-4-8-15(13-14)24-12-6-11-20-24/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,21,25)
InChIKeyHFQSFDPJSWWSBT-UHFFFAOYSA-N
XLogP3.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
CID 56506786
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 55670940
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]butanamide
CID 55891133
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide (CID 55766144) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide is CC(C)(C)c1noc(CCCC(=O)Nc2cccc(-n3cccn3)c2)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide?
The InChIKey is HFQSFDPJSWWSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2,3)18-22-17(26-23-18)10-5-9-16(25)21-14-7-4-8-15(13-14)24-12-6-11-20-24/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,21,25).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide has a molecular weight of 353.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 55766144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).