[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

C18H19FN2O6S — CID 8606866

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
SMILESCOc1ccc(C(=O)COC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1F
InChIInChI=1S/C18H19FN2O6S/c1-10-6-16(21-27-10)20-18(24)11(2)28-9-17(23)26-8-14(22)12-4-5-15(25-3)13(19)7-12/h4-7,11H,8-9H2,1-3H3,(H,20,21,24)/t11-/m0/s1
InChIKeyHSDMYFZRIAEZFW-NSHDSACASA-N
MW410.42 g/mol
LogP2.62
Rot. Bonds9

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate (PubChem CID 8606866) has the molecular formula C18H19FN2O6S and a molecular weight of 410.42 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
PubChem CID8606866
Molecular FormulaC18H19FN2O6S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
SMILESCOc1ccc(C(=O)COC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1F
InChIInChI=1S/C18H19FN2O6S/c1-10-6-16(21-27-10)20-18(24)11(2)28-9-17(23)26-8-14(22)12-4-5-15(25-3)13(19)7-12/h4-7,11H,8-9H2,1-3H3,(H,20,21,24)/t11-/m0/s1
InChIKeyHSDMYFZRIAEZFW-NSHDSACASA-N
XLogP2.62
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate with MolForge

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Launch Full Analysis

Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 24982517
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953528
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953523
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 40607845
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 8858502
(3-nitrophenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 55312204
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7799367
methyl 4-methyl-3-[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate
CID 7920456

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate (CID 8606866) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate is COc1ccc(C(=O)COC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
The InChIKey is HSDMYFZRIAEZFW-NSHDSACASA-N. The full InChI is InChI=1S/C18H19FN2O6S/c1-10-6-16(21-27-10)20-18(24)11(2)28-9-17(23)26-8-14(22)12-4-5-15(25-3)13(19)7-12/h4-7,11H,8-9H2,1-3H3,(H,20,21,24)/t11-/m0/s1.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate has a molecular weight of 410.42 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate is sourced from PubChem (CID 8606866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).