1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C23H23N5O — CID 120864388

IUPAC1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(C3(N)CCC3)no2)c(C)c1
InChIInChI=1S/C23H23N5O/c1-15-9-10-18(16(2)13-15)20-19(14-28(26-20)17-7-4-3-5-8-17)21-25-22(27-29-21)23(24)11-6-12-23/h3-5,7-10,13-14H,6,11-12,24H2,1-2H3
InChIKeyFSEOPNCYXBFBEW-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.54
Rot. Bonds4

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

1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864388) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864388
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(C3(N)CCC3)no2)c(C)c1
InChIInChI=1S/C23H23N5O/c1-15-9-10-18(16(2)13-15)20-19(14-28(26-20)17-7-4-3-5-8-17)21-25-22(27-29-21)23(24)11-6-12-23/h3-5,7-10,13-14H,6,11-12,24H2,1-2H3
InChIKeyFSEOPNCYXBFBEW-UHFFFAOYSA-N
XLogP4.54
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855696
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862317
1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854456
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2,5-dimethylphenyl)methanone;hydrochloride
CID 120858811
1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852559
1-[5-[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860768
1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 31738776
1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850455
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 120864049
1-[5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852450
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864388) is 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(C3(N)CCC3)no2)c(C)c1.
What is the InChIKey of 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is FSEOPNCYXBFBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-9-10-18(16(2)13-15)20-19(14-28(26-20)17-7-4-3-5-8-17)21-25-22(27-29-21)23(24)11-6-12-23/h3-5,7-10,13-14H,6,11-12,24H2,1-2H3.
What are the key properties of 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 385.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).