5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C21H20N4O — CID 143992830

IUPAC5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(Cc2cc(-c3nc(-c4ccc(C)cc4)no3)nn2C)cc1
InChIInChI=1S/C21H20N4O/c1-14-4-8-16(9-5-14)12-18-13-19(23-25(18)3)21-22-20(24-26-21)17-10-6-15(2)7-11-17/h4-11,13H,12H2,1-3H3
InChIKeyLAJBBIZYXAJWRN-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.34
Rot. Bonds4

About 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 143992830) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID143992830
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(Cc2cc(-c3nc(-c4ccc(C)cc4)no3)nn2C)cc1
InChIInChI=1S/C21H20N4O/c1-14-4-8-16(9-5-14)12-18-13-19(23-25(18)3)21-22-20(24-26-21)17-10-6-15(2)7-11-17/h4-11,13H,12H2,1-3H3
InChIKeyLAJBBIZYXAJWRN-UHFFFAOYSA-N
XLogP4.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
pentafluoro-[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 73213430
4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline
CID 46507035
5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167879483
4-[[4-[5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 59504760
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 143992830) is 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(Cc2cc(-c3nc(-c4ccc(C)cc4)no3)nn2C)cc1.
What is the InChIKey of 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is LAJBBIZYXAJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-4-8-16(9-5-14)12-18-13-19(23-25(18)3)21-22-20(24-26-21)17-10-6-15(2)7-11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 143992830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).