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

C25H24N2O4 — CID 9098428

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C
InChIInChI=1S/C25H24N2O4/c1-15-9-10-23(29-4)22(11-15)26-25(28)20-12-18-7-5-6-8-19(18)13-24(20)30-14-21-16(2)27-31-17(21)3/h5-13H,14H2,1-4H3,(H,26,28)
InChIKeyCMOSROHARFJXBT-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.59
Rot. Bonds6

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide (PubChem CID 9098428) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
PubChem CID9098428
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C
InChIInChI=1S/C25H24N2O4/c1-15-9-10-23(29-4)22(11-15)26-25(28)20-12-18-7-5-6-8-19(18)13-24(20)30-14-21-16(2)27-31-17(21)3/h5-13H,14H2,1-4H3,(H,26,28)
InChIKeyCMOSROHARFJXBT-UHFFFAOYSA-N
XLogP5.59
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 9097764
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide
CID 55532647
methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate
CID 55337962
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 55973311
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-1,3-benzoxazol-5-yl)naphthalene-2-carboxamide
CID 30663353
4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443960
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 46647063
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 46533155
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237328

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide (CID 9098428) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is CMOSROHARFJXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-15-9-10-23(29-4)22(11-15)26-25(28)20-12-18-7-5-6-8-19(18)13-24(20)30-14-21-16(2)27-31-17(21)3/h5-13H,14H2,1-4H3,(H,26,28).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 9098428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).