5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine

C24H19N5O2 — CID 155552273

IUPAC5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2ccccc2-c2nnc(N)o2)cc1
InChIInChI=1S/C24H19N5O2/c1-30-18-13-11-16(12-14-18)22-21(15-29(28-22)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23-26-27-24(25)31-23/h2-15H,1H3,(H2,25,27)
InChIKeyWQKKPIYUVOFPAL-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.85
Rot. Bonds5

About 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine

5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 155552273) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID155552273
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2ccccc2-c2nnc(N)o2)cc1
InChIInChI=1S/C24H19N5O2/c1-30-18-13-11-16(12-14-18)22-21(15-29(28-22)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23-26-27-24(25)31-23/h2-15H,1H3,(H2,25,27)
InChIKeyWQKKPIYUVOFPAL-UHFFFAOYSA-N
XLogP4.85
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine (CID 155552273) is 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nn(-c3ccccc3)cc2-c2ccccc2-c2nnc(N)o2)cc1.
What is the InChIKey of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WQKKPIYUVOFPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-30-18-13-11-16(12-14-18)22-21(15-29(28-22)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23-26-27-24(25)31-23/h2-15H,1H3,(H2,25,27).
What are the key properties of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine?
5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 409.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 155552273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).