2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide

C16H18N2O4 — CID 56708039

IUPAC2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCN(C)C(=O)c1coc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C16H18N2O4/c1-4-9-18(2)16(19)14-10-22-15(17-14)11-21-13-7-5-12(20-3)6-8-13/h4-8,10H,1,9,11H2,2-3H3
InChIKeyWGKNCVUQQGRDHD-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.52
Rot. Bonds7

About 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide

2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide (PubChem CID 56708039) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
PubChem CID56708039
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCN(C)C(=O)c1coc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C16H18N2O4/c1-4-9-18(2)16(19)14-10-22-15(17-14)11-21-13-7-5-12(20-3)6-8-13/h4-8,10H,1,9,11H2,2-3H3
InChIKeyWGKNCVUQQGRDHD-UHFFFAOYSA-N
XLogP2.52
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.52
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-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56700894
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42519824
N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 72881785
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
N-[(3-chlorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25374266
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 95230039
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 45208937
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide (CID 56708039) is 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide is C=CCN(C)C(=O)c1coc(COc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The InChIKey is WGKNCVUQQGRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-9-18(2)16(19)14-10-22-15(17-14)11-21-13-7-5-12(20-3)6-8-13/h4-8,10H,1,9,11H2,2-3H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56708039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).