N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide

C21H17N3O2 — CID 16854678

IUPACN-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
SMILESCc1ccc(-c2nnc(NC(=O)Cc3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C21H17N3O2/c1-14-6-9-17(10-7-14)20-23-24-21(26-20)22-19(25)13-15-8-11-16-4-2-3-5-18(16)12-15/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyMQLOVGSHVBBOAH-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.38
Rot. Bonds4

About N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide

N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide (PubChem CID 16854678) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
PubChem CID16854678
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
SMILESCc1ccc(-c2nnc(NC(=O)Cc3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C21H17N3O2/c1-14-6-9-17(10-7-14)20-23-24-21(26-20)22-19(25)13-15-8-11-16-4-2-3-5-18(16)12-15/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyMQLOVGSHVBBOAH-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43977845
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43971985
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41228861
2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972518
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41227799
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 3633508
2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
2-(4-methoxy-3-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854865
2-methyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854563

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide (CID 16854678) is N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide is Cc1ccc(-c2nnc(NC(=O)Cc3ccc4ccccc4c3)o2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is MQLOVGSHVBBOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-6-9-17(10-7-14)20-23-24-21(26-20)22-19(25)13-15-8-11-16-4-2-3-5-18(16)12-15/h2-12H,13H2,1H3,(H,22,24,25).
What are the key properties of N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide?
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 343.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16854678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).