2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide

C17H20FN3O4 — CID 95194158

IUPAC2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O4/c1-11(8-15(22)19-2)21(3)17(23)13-9-25-16(20-13)10-24-14-7-5-4-6-12(14)18/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)/t11-/m1/s1
InChIKeyWJKNFYHMUONZHI-LLVKDONJSA-N
MW349.36 g/mol
LogP1.99
Rot. Bonds7

About 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide

2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 95194158) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID95194158
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O4/c1-11(8-15(22)19-2)21(3)17(23)13-9-25-16(20-13)10-24-14-7-5-4-6-12(14)18/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)/t11-/m1/s1
InChIKeyWJKNFYHMUONZHI-LLVKDONJSA-N
XLogP1.99
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95401315
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42194089
2-[(2-fluorophenoxy)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56707631
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42096490
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45252945
N-(dicyclopropylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25375834
2-[(2,3-difluorophenoxy)methyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56702436
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 25454862
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45229428
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
2-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205769

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide (CID 95194158) is 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide is CNC(=O)C[C@@H](C)N(C)C(=O)c1coc(COc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is WJKNFYHMUONZHI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-11(8-15(22)19-2)21(3)17(23)13-9-25-16(20-13)10-24-14-7-5-4-6-12(14)18/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95194158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).