3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide

C22H19N3O3 — CID 43973259

IUPAC3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccc(C)cc2)o1
InChIInChI=1S/C22H19N3O3/c1-14-7-9-15(10-8-14)11-20-24-25-22(28-20)23-21(26)18-12-16-5-3-4-6-17(16)13-19(18)27-2/h3-10,12-13H,11H2,1-2H3,(H,23,25,26)
InChIKeyGEGBVWQBUJUWBQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.38
Rot. Bonds5

About 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide

3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 43973259) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
PubChem CID43973259
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccc(C)cc2)o1
InChIInChI=1S/C22H19N3O3/c1-14-7-9-15(10-8-14)11-20-24-25-22(28-20)23-21(26)18-12-16-5-3-4-6-17(16)13-19(18)27-2/h3-10,12-13H,11H2,1-2H3,(H,23,25,26)
InChIKeyGEGBVWQBUJUWBQ-UHFFFAOYSA-N
XLogP4.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43974075
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43974321
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 43973904
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43975517
3-methoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
CID 3429166
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43973812
2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973248
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide (CID 43973259) is 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccc(C)cc2)o1.
What is the InChIKey of 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is GEGBVWQBUJUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-7-9-15(10-8-14)11-20-24-25-22(28-20)23-21(26)18-12-16-5-3-4-6-17(16)13-19(18)27-2/h3-10,12-13H,11H2,1-2H3,(H,23,25,26).
What are the key properties of 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 43973259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).