N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

C22H25N3O2 — CID 110420004

IUPACN-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)Nc2ccccc2C(C)(C)C)c2ccccc2)o1
InChIInChI=1S/C22H25N3O2/c1-15-24-25-21(27-15)17(16-10-6-5-7-11-16)14-20(26)23-19-13-9-8-12-18(19)22(2,3)4/h5-13,17H,14H2,1-4H3,(H,23,26)
InChIKeyFMKHGSBRABDYHJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.84
Rot. Bonds5

About N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110420004) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110420004
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)Nc2ccccc2C(C)(C)C)c2ccccc2)o1
InChIInChI=1S/C22H25N3O2/c1-15-24-25-21(27-15)17(16-10-6-5-7-11-16)14-20(26)23-19-13-9-8-12-18(19)22(2,3)4/h5-13,17H,14H2,1-4H3,(H,23,26)
InChIKeyFMKHGSBRABDYHJ-UHFFFAOYSA-N
XLogP4.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110422172
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428231
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
methyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424323
N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428980
methyl 4-chloro-3-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424464
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 110627823
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 110605942

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110420004) is N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is Cc1nnc(C(CC(=O)Nc2ccccc2C(C)(C)C)c2ccccc2)o1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is FMKHGSBRABDYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-24-25-21(27-15)17(16-10-6-5-7-11-16)14-20(26)23-19-13-9-8-12-18(19)22(2,3)4/h5-13,17H,14H2,1-4H3,(H,23,26).
What are the key properties of N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 363.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110420004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).