5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole

C23H25N5O — CID 158045974

IUPAC5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2noc(-c3cnn(CC(C)C)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-4-5-17-6-8-19(9-7-17)22-26-23(29-27-22)20-14-25-28(15-16(2)3)21(20)18-10-12-24-13-11-18/h6-14,16H,4-5,15H2,1-3H3
InChIKeyFIXMIESLMOXWIK-UHFFFAOYSA-N
MW387.49 g/mol
LogP5.27
Rot. Bonds7

About 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole

5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 158045974) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
PubChem CID158045974
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2noc(-c3cnn(CC(C)C)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-4-5-17-6-8-19(9-7-17)22-26-23(29-27-22)20-14-25-28(15-16(2)3)21(20)18-10-12-24-13-11-18/h6-14,16H,4-5,15H2,1-3H3
InChIKeyFIXMIESLMOXWIK-UHFFFAOYSA-N
XLogP5.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 72868764
3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 4218564
3-(3-methylsulfonylphenyl)-5-(1-propyl-5-pyridin-4-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 90897981
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 43627422
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-(2,5-dichloro-3-pyridinyl)-3-(4-heptylphenyl)-1,2,4-oxadiazole
CID 2800155
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489
3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole (CID 158045974) is 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2noc(-c3cnn(CC(C)C)c3-c3ccncc3)n2)cc1.
What is the InChIKey of 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is FIXMIESLMOXWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-4-5-17-6-8-19(9-7-17)22-26-23(29-27-22)20-14-25-28(15-16(2)3)21(20)18-10-12-24-13-11-18/h6-14,16H,4-5,15H2,1-3H3.
What are the key properties of 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 387.49 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158045974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).