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

C22H19N3O3S — CID 43974075

IUPAC3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccc(SC)cc2)o1
InChIInChI=1S/C22H19N3O3S/c1-27-19-13-16-6-4-3-5-15(16)12-18(19)21(26)23-22-25-24-20(28-22)11-14-7-9-17(29-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,23,25,26)
InChIKeyUKVAIRUFDYIUJU-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.80
Rot. Bonds6

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

3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 43974075) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
PubChem CID43974075
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccc(SC)cc2)o1
InChIInChI=1S/C22H19N3O3S/c1-27-19-13-16-6-4-3-5-15(16)12-18(19)21(26)23-22-25-24-20(28-22)11-14-7-9-17(29-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,23,25,26)
InChIKeyUKVAIRUFDYIUJU-UHFFFAOYSA-N
XLogP4.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43973259
7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43973948
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43975517
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43974028
7-ethoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43974153
2,6-difluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974057
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
3-(4-methoxyphenyl)sulfanyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974124
3-(3,4-dimethoxyphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74907288
3-methoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
CID 3429166
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43973812

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide (CID 43974075) is 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccc(SC)cc2)o1.
What is the InChIKey of 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is UKVAIRUFDYIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-19-13-16-6-4-3-5-15(16)12-18(19)21(26)23-22-25-24-20(28-22)11-14-7-9-17(29-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,23,25,26).
What are the key properties of 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide?
3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 43974075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).