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

C26H25N3O3 — CID 5297582

IUPACN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1
InChIInChI=1S/C26H25N3O3/c1-26(2,3)19-14-12-17(13-15-19)24-28-29-25(32-24)21-10-5-6-11-22(21)27-23(30)18-8-7-9-20(16-18)31-4/h5-16H,1-4H3,(H,27,30)
InChIKeyAPAQXYLMLQVBGT-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.96
Rot. Bonds5

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

N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide (PubChem CID 5297582) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
PubChem CID5297582
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1
InChIInChI=1S/C26H25N3O3/c1-26(2,3)19-14-12-17(13-15-19)24-28-29-25(32-24)21-10-5-6-11-22(21)27-23(30)18-8-7-9-20(16-18)31-4/h5-16H,1-4H3,(H,27,30)
InChIKeyAPAQXYLMLQVBGT-UHFFFAOYSA-N
XLogP5.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
CID 5113548
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 3338695
4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
CID 170458873
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-carbonyl]phenyl]-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 141225959

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide (CID 5297582) is N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1.
What is the InChIKey of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The InChIKey is APAQXYLMLQVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-26(2,3)19-14-12-17(13-15-19)24-28-29-25(32-24)21-10-5-6-11-22(21)27-23(30)18-8-7-9-20(16-18)31-4/h5-16H,1-4H3,(H,27,30).
What are the key properties of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide has a molecular weight of 427.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 5297582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).