2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide

C20H20FN3O3 — CID 9040276

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H20FN3O3/c1-24(12-19(25)23-16-7-9-17(26-2)10-8-16)13-20-22-11-18(27-20)14-3-5-15(21)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyXZKJSKFWTURUJM-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.56
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9040276) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9040276
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H20FN3O3/c1-24(12-19(25)23-16-7-9-17(26-2)10-8-16)13-20-22-11-18(27-20)14-3-5-15(21)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyXZKJSKFWTURUJM-UHFFFAOYSA-N
XLogP3.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
methyl N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]carbamate
CID 78903690
N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]acetamide
CID 9353806
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016142

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide (CID 9040276) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XZKJSKFWTURUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-24(12-19(25)23-16-7-9-17(26-2)10-8-16)13-20-22-11-18(27-20)14-3-5-15(21)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9040276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).