5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide

C17H21F2N3O3 — CID 56704290

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H21F2N3O3/c1-4-22(8-7-21(2)3)17(23)15-10-13(25-20-15)11-24-16-6-5-12(18)9-14(16)19/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKeySYQBLQJSRUMUBC-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.56
Rot. Bonds8

About 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 56704290) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID56704290
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H21F2N3O3/c1-4-22(8-7-21(2)3)17(23)15-10-13(25-20-15)11-24-16-6-5-12(18)9-14(16)19/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKeySYQBLQJSRUMUBC-UHFFFAOYSA-N
XLogP2.56
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2-oxazole-3-carboxamide
CID 25489866
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(1R)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone
CID 26320748
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 25308523
5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
CID 42403444
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24817549
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62450541
2-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712990
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25490193
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468168
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 56704290) is 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide is CCN(CCN(C)C)C(=O)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is SYQBLQJSRUMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c1-4-22(8-7-21(2)3)17(23)15-10-13(25-20-15)11-24-16-6-5-12(18)9-14(16)19/h5-6,9-10H,4,7-8,11H2,1-3H3.
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).