2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole

C25H20N4O2 — CID 1497065

IUPAC2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(-c4ccc(C)cc4)n(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C25H20N4O2/c1-17-8-10-18(11-9-17)23-16-22(28-29(23)20-6-4-3-5-7-20)25-27-26-24(31-25)19-12-14-21(30-2)15-13-19/h3-16H,1-2H3
InChIKeyLTKDREWCVMGMMN-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.57
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole (PubChem CID 1497065) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole
PubChem CID1497065
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(-c4ccc(C)cc4)n(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C25H20N4O2/c1-17-8-10-18(11-9-17)23-16-22(28-29(23)20-6-4-3-5-7-20)25-27-26-24(31-25)19-12-14-21(30-2)15-13-19/h3-16H,1-2H3
InChIKeyLTKDREWCVMGMMN-UHFFFAOYSA-N
XLogP5.57
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
CID 162664109
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 16742301
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
12-(4-methoxyphenyl)-8-methyl-5-phenyl-11-oxa-3,4,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-10-one
CID 164576832
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole (CID 1497065) is 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cc(-c4ccc(C)cc4)n(-c4ccccc4)n3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is LTKDREWCVMGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-8-10-18(11-9-17)23-16-22(28-29(23)20-6-4-3-5-7-20)25-27-26-24(31-25)19-12-14-21(30-2)15-13-19/h3-16H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 408.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 1497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).