3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole

C23H23N5O3 — CID 143992803

IUPAC3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESCOC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(C)nc5)n4)n3)cc2)COC1
InChIInChI=1S/C23H23N5O3/c1-15-4-5-17(11-24-15)12-28-16(2)10-20(26-28)22-25-21(27-31-22)18-6-8-19(9-7-18)23(29-3)13-30-14-23/h4-11H,12-14H2,1-3H3
InChIKeyLCKCEDPFQSKCNM-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.53
Rot. Bonds6

About 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole

3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole (PubChem CID 143992803) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
PubChem CID143992803
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESCOC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(C)nc5)n4)n3)cc2)COC1
InChIInChI=1S/C23H23N5O3/c1-15-4-5-17(11-24-15)12-28-16(2)10-20(26-28)22-25-21(27-31-22)18-6-8-19(9-7-18)23(29-3)13-30-14-23/h4-11H,12-14H2,1-3H3
InChIKeyLCKCEDPFQSKCNM-UHFFFAOYSA-N
XLogP3.53
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
[4-[5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-trimethylsilane
CID 67377842
pentafluoro-[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 73213430
3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 90937430
5-[1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazole
CID 58072153
5-[1-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazole
CID 67378374
N-[2-(5-methylpyrazol-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
CID 58538546
4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]aniline
CID 58561579

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole is COC1(c2ccc(-c3noc(-c4cc(C)n(Cc5ccc(C)nc5)n4)n3)cc2)COC1.
What is the InChIKey of 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is LCKCEDPFQSKCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-4-5-17(11-24-15)12-28-16(2)10-20(26-28)22-25-21(27-31-22)18-6-8-19(9-7-18)23(29-3)13-30-14-23/h4-11H,12-14H2,1-3H3.
What are the key properties of 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 417.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyoxetan-3-yl)phenyl]-5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 143992803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).