2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide

C20H20N2O4 — CID 56700894

IUPAC2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCN(C)C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1
InChIInChI=1S/C20H20N2O4/c1-4-9-22(2)20(23)18-12-26-19(21-18)13-25-17-8-6-14-5-7-16(24-3)10-15(14)11-17/h4-8,10-12H,1,9,13H2,2-3H3
InChIKeyPALIIFJTVMYBCD-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.67
Rot. Bonds7

About 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide

2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide (PubChem CID 56700894) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
PubChem CID56700894
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCN(C)C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1
InChIInChI=1S/C20H20N2O4/c1-4-9-22(2)20(23)18-12-26-19(21-18)13-25-17-8-6-14-5-7-16(24-3)10-15(14)11-17/h4-8,10-12H,1,9,13H2,2-3H3
InChIKeyPALIIFJTVMYBCD-UHFFFAOYSA-N
XLogP3.67
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 95230039
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
N-[(3-chlorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25374266
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42519824
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-propan-2-yl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56754794
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95217264

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide (CID 56700894) is 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide is C=CCN(C)C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1.
What is the InChIKey of 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The InChIKey is PALIIFJTVMYBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-9-22(2)20(23)18-12-26-19(21-18)13-25-17-8-6-14-5-7-16(24-3)10-15(14)11-17/h4-8,10-12H,1,9,13H2,2-3H3.
What are the key properties of 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56700894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).