N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide

C25H25N5O4 — CID 59504621

IUPACN-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide
SMILESCOC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(NC(C)=O)cc5)n4)n3)cc2)COC1
InChIInChI=1S/C25H25N5O4/c1-16-12-22(28-30(16)13-18-4-10-21(11-5-18)26-17(2)31)24-27-23(29-34-24)19-6-8-20(9-7-19)25(32-3)14-33-15-25/h4-12H,13-15H2,1-3H3,(H,26,31)
InChIKeyLHFOIJONESLDFV-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.79
Rot. Bonds7

About N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide

N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide (PubChem CID 59504621) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide
PubChem CID59504621
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide
SMILESCOC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(NC(C)=O)cc5)n4)n3)cc2)COC1
InChIInChI=1S/C25H25N5O4/c1-16-12-22(28-30(16)13-18-4-10-21(11-5-18)26-17(2)31)24-27-23(29-34-24)19-6-8-20(9-7-19)25(32-3)14-33-15-25/h4-12H,13-15H2,1-3H3,(H,26,31)
InChIKeyLHFOIJONESLDFV-UHFFFAOYSA-N
XLogP3.79
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 143992803
4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
N-methyl-4-[[5-methyl-3-[3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]aniline
CID 73212416
pentafluoro-[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 73213430
[1-[3-[[3-[3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl] acetate
CID 142715038
4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]aniline
CID 58561579
5-[1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazole
CID 58072153
3-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]benzoic acid
CID 67378140
3-(4-tert-butylphenyl)-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 143992713
5-[1-[(6-chloro-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole;fluoromethane;molecular fluorine
CID 143992792
5-[[3-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 58538604
[1-[3-[[5-methyl-3-[3-[4-(trifluoromethylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
CID 67481637

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide (CID 59504621) is N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide is COC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(NC(C)=O)cc5)n4)n3)cc2)COC1.
What is the InChIKey of N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide?
The InChIKey is LHFOIJONESLDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16-12-22(28-30(16)13-18-4-10-21(11-5-18)26-17(2)31)24-27-23(29-34-24)19-6-8-20(9-7-19)25(32-3)14-33-15-25/h4-12H,13-15H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 59504621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).