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

C24H21FN2O3 — CID 9097764

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C
InChIInChI=1S/C24H21FN2O3/c1-14-8-9-19(25)12-22(14)26-24(28)20-10-17-6-4-5-7-18(17)11-23(20)29-13-21-15(2)27-30-16(21)3/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyQHNQWXBCULTYFJ-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.72
Rot. Bonds5

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide (PubChem CID 9097764) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
PubChem CID9097764
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C
InChIInChI=1S/C24H21FN2O3/c1-14-8-9-19(25)12-22(14)26-24(28)20-10-17-6-4-5-7-18(17)11-23(20)29-13-21-15(2)27-30-16(21)3/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyQHNQWXBCULTYFJ-UHFFFAOYSA-N
XLogP5.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 55337018
[2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 41237251
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
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
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-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]naphthalene-2-carboxamide
CID 86903174
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-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide (CID 9097764) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide is Cc1ccc(F)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is QHNQWXBCULTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-14-8-9-19(25)12-22(14)26-24(28)20-10-17-6-4-5-7-18(17)11-23(20)29-13-21-15(2)27-30-16(21)3/h4-12H,13H2,1-3H3,(H,26,28).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-fluoro-2-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 9097764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).