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

C27H27N3O3 — CID 17359061

IUPACN-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1
InChIInChI=1S/C27H27N3O3/c1-18-6-5-7-23(16-18)32-17-24(31)28-22-14-10-20(11-15-22)26-30-29-25(33-26)19-8-12-21(13-9-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,28,31)
InChIKeyLUOZRIZLOJMVBI-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.03
Rot. Bonds6

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

N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 17359061) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID17359061
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1
InChIInChI=1S/C27H27N3O3/c1-18-6-5-7-23(16-18)32-17-24(31)28-22-14-10-20(11-15-22)26-30-29-25(33-26)19-8-12-21(13-9-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,28,31)
InChIKeyLUOZRIZLOJMVBI-UHFFFAOYSA-N
XLogP6.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 7325875
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(3-methylphenoxy)acetamide
CID 122297687
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 14690716
2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231037
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide (CID 17359061) is N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=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]-2-(3-methylphenoxy)acetamide?
The InChIKey is LUOZRIZLOJMVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-18-6-5-7-23(16-18)32-17-24(31)28-22-14-10-20(11-15-22)26-30-29-25(33-26)19-8-12-21(13-9-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,28,31).
What are the key properties of N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide?
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 441.53 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 17359061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).