3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide

C26H26N2O4 — CID 30750024

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1
InChIInChI=1S/C26H26N2O4/c1-17-24(18(2)32-27-17)16-31-25-14-21-10-6-5-9-20(21)13-23(25)26(29)28(3)15-19-8-7-11-22(12-19)30-4/h5-14H,15-16H2,1-4H3
InChIKeyGPVQPXHRQXLLAV-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.30
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 30750024) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
PubChem CID30750024
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1
InChIInChI=1S/C26H26N2O4/c1-17-24(18(2)32-27-17)16-31-25-14-21-10-6-5-9-20(21)13-23(25)26(29)28(3)15-19-8-7-11-22(12-19)30-4/h5-14H,15-16H2,1-4H3
InChIKeyGPVQPXHRQXLLAV-UHFFFAOYSA-N
XLogP5.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 43020525
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770635
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 99814935
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 30888032
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide (CID 30750024) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide is COc1cccc(CN(C)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is GPVQPXHRQXLLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-17-24(18(2)32-27-17)16-31-25-14-21-10-6-5-9-20(21)13-23(25)26(29)28(3)15-19-8-7-11-22(12-19)30-4/h5-14H,15-16H2,1-4H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 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-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 30750024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).