3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide

C27H25N3O5 — CID 55814292

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C27H25N3O5/c1-17-24(18(2)35-29-17)16-34-25-14-21-8-4-3-7-20(21)13-23(25)26(31)28-15-19-6-5-9-22(12-19)30-10-11-33-27(30)32/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,28,31)
InChIKeyGYVLXUQKQQDKOX-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.91
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide (PubChem CID 55814292) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide
PubChem CID55814292
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide
SMILESCc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C27H25N3O5/c1-17-24(18(2)35-29-17)16-34-25-14-21-8-4-3-7-20(21)13-23(25)26(31)28-15-19-6-5-9-22(12-19)30-10-11-33-27(30)32/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,28,31)
InChIKeyGYVLXUQKQQDKOX-UHFFFAOYSA-N
XLogP4.91
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(thiophen-2-ylmethyl)naphthalene-2-carboxamide
CID 30662522
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-[(1-morpholin-4-ylcyclohexyl)methyl]naphthalene-2-carboxamide
CID 47004566
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55970144
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55814453
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide
CID 40984777
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]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55753725
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 43020525
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 30750024
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-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 46533155

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide (CID 55814292) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide?
The InChIKey is GYVLXUQKQQDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-24(18(2)35-29-17)16-34-25-14-21-8-4-3-7-20(21)13-23(25)26(31)28-15-19-6-5-9-22(12-19)30-10-11-33-27(30)32/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,28,31).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55814292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).