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

C17H16FN3O3S — CID 42194089

IUPAC2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C17H16FN3O3S/c1-11(16-19-7-8-25-16)21(2)17(22)13-9-24-15(20-13)10-23-14-6-4-3-5-12(14)18/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyRJVUXLRJWSGQIJ-LLVKDONJSA-N
MW361.40 g/mol
LogP3.68
Rot. Bonds6

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

2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 42194089) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID42194089
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C17H16FN3O3S/c1-11(16-19-7-8-25-16)21(2)17(22)13-9-24-15(20-13)10-23-14-6-4-3-5-12(14)18/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyRJVUXLRJWSGQIJ-LLVKDONJSA-N
XLogP3.68
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205769
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 45211746
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
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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
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CID 45224350
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
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-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42404234

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 42194089) is 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is C[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RJVUXLRJWSGQIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11(16-19-7-8-25-16)21(2)17(22)13-9-24-15(20-13)10-23-14-6-4-3-5-12(14)18/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42194089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).