N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide

C26H25N3O2 — CID 17171702

IUPACN-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1
InChIInChI=1S/C26H25N3O2/c1-17-6-5-7-20(16-17)23(30)27-22-14-10-19(11-15-22)25-29-28-24(31-25)18-8-12-21(13-9-18)26(2,3)4/h5-16H,1-4H3,(H,27,30)
InChIKeyAMONJYLEPBCGKZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.26
Rot. Bonds4

About N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide

N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide (PubChem CID 17171702) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
PubChem CID17171702
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1
InChIInChI=1S/C26H25N3O2/c1-17-6-5-7-20(16-17)23(30)27-22-14-10-19(11-15-22)25-29-28-24(31-25)18-8-12-21(13-9-18)26(2,3)4/h5-16H,1-4H3,(H,27,30)
InChIKeyAMONJYLEPBCGKZ-UHFFFAOYSA-N
XLogP6.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 17359061
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-methylbenzamide
CID 110642543
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide (CID 17171702) is N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1.
What is the InChIKey of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide?
The InChIKey is AMONJYLEPBCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-6-5-7-20(16-17)23(30)27-22-14-10-19(11-15-22)25-29-28-24(31-25)18-8-12-21(13-9-18)26(2,3)4/h5-16H,1-4H3,(H,27,30).
What are the key properties of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide?
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide has a molecular weight of 411.51 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 17171702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).