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

C25H24N2O4 — CID 8745831

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C25H24N2O4/c1-4-29-21-11-9-20(10-12-21)26-25(28)22-13-18-7-5-6-8-19(18)14-24(22)30-15-23-16(2)27-31-17(23)3/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyXUNYQTGYCMJNKD-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.67
Rot. Bonds7

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide (PubChem CID 8745831) 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-(4-ethoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
PubChem CID8745831
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C25H24N2O4/c1-4-29-21-11-9-20(10-12-21)26-25(28)22-13-18-7-5-6-8-19(18)14-24(22)30-15-23-16(2)27-31-17(23)3/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyXUNYQTGYCMJNKD-UHFFFAOYSA-N
XLogP5.67
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 46533155
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-1,3-benzoxazol-5-yl)naphthalene-2-carboxamide
CID 30663353
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(2,2-dimethylpropanoylamino)phenyl]naphthalene-2-carboxamide
CID 55532647
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-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 9098428
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 38285185
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 43020525

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide (CID 8745831) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide is CCOc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is XUNYQTGYCMJNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-4-29-21-11-9-20(10-12-21)26-25(28)22-13-18-7-5-6-8-19(18)14-24(22)30-15-23-16(2)27-31-17(23)3/h5-14H,4,15H2,1-3H3,(H,26,28).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 5.67, 7 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-(4-ethoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 8745831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).