N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H26FN5O3 — CID 46436631

IUPACN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H26FN5O3/c1-25(2,3)20-15-21(31(29-20)18-9-7-17(26)8-10-18)27-22(32)13-14-23-28-24(30-34-23)16-5-11-19(33-4)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,27,32)
InChIKeyFOEDIGULLXNNKI-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.94
Rot. Bonds7

About N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46436631) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46436631
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H26FN5O3/c1-25(2,3)20-15-21(31(29-20)18-9-7-17(26)8-10-18)27-22(32)13-14-23-28-24(30-34-23)16-5-11-19(33-4)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,27,32)
InChIKeyFOEDIGULLXNNKI-UHFFFAOYSA-N
XLogP4.94
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-methylbenzamide
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N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
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N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
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3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
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N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-yloxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46436631) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FOEDIGULLXNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-25(2,3)20-15-21(31(29-20)18-9-7-17(26)8-10-18)27-22(32)13-14-23-28-24(30-34-23)16-5-11-19(33-4)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,27,32).
What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 463.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46436631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).