N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide

C22H27N3O2 — CID 10338865

IUPACN-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NN2C(c3cc(C)cc(C)c3)=NOC2(C)CC)cc1
InChIInChI=1S/C22H27N3O2/c1-6-17-8-10-18(11-9-17)21(26)23-25-20(24-27-22(25,5)7-2)19-13-15(3)12-16(4)14-19/h8-14H,6-7H2,1-5H3,(H,23,26)
InChIKeyMKRIQNGPHNZCKE-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.33
Rot. Bonds5

About N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide

N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide (PubChem CID 10338865) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide
PubChem CID10338865
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NN2C(c3cc(C)cc(C)c3)=NOC2(C)CC)cc1
InChIInChI=1S/C22H27N3O2/c1-6-17-8-10-18(11-9-17)21(26)23-25-20(24-27-22(25,5)7-2)19-13-15(3)12-16(4)14-19/h8-14H,6-7H2,1-5H3,(H,23,26)
InChIKeyMKRIQNGPHNZCKE-UHFFFAOYSA-N
XLogP4.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide
CID 10341329
4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide
CID 57435794
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
sodium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-4-ethylbenzamide;4-ethylbenzoyl chloride;hydroxide
CID 159085473
sodium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-4-ethylbenzamide;4-ethylbenzoyl chloride;methane;hydroxide
CID 161306939
N-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42694804
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099918
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 22779110
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide?
The IUPAC name of N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide (CID 10338865) is N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide?
The canonical SMILES for N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide is CCc1ccc(C(=O)NN2C(c3cc(C)cc(C)c3)=NOC2(C)CC)cc1.
What is the InChIKey of N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide?
The InChIKey is MKRIQNGPHNZCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-6-17-8-10-18(11-9-17)21(26)23-25-20(24-27-22(25,5)7-2)19-13-15(3)12-16(4)14-19/h8-14H,6-7H2,1-5H3,(H,23,26).
What are the key properties of N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide?
N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylphenyl)-5-ethyl-5-methyl-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide is sourced from PubChem (CID 10338865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).