N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide

C18H17N3O2 — CID 7244114

IUPACN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)Cc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O2/c1-12-8-9-13(2)15(10-12)17-20-21-18(23-17)19-16(22)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyGLEFOEBXFRRTJD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds4

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

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide (PubChem CID 7244114) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
PubChem CID7244114
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)Cc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O2/c1-12-8-9-13(2)15(10-12)17-20-21-18(23-17)19-16(22)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyGLEFOEBXFRRTJD-UHFFFAOYSA-N
XLogP3.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
2,6-difluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4446326
N-(5-(2-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)-2-phenylacetamide
CID 7295015
2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597012
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597268
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4531090
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 691499
N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4141139
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4176698
2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4617025

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide (CID 7244114) is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide is Cc1ccc(C)c(-c2nnc(NC(=O)Cc3ccccc3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The InChIKey is GLEFOEBXFRRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-8-9-13(2)15(10-12)17-20-21-18(23-17)19-16(22)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide has a molecular weight of 307.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 7244114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).