methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate

C20H19FN2O5 — CID 99785571

IUPACmethyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)c(O)c1
InChIInChI=1S/C20H19FN2O5/c1-26-16-8-5-13(9-15(16)24)19(20(25)27-2)23-11-18-22-10-17(28-18)12-3-6-14(21)7-4-12/h3-10,19,23-24H,11H2,1-2H3/t19-/m0/s1
InChIKeyBCRSILLREADFMH-IBGZPJMESA-N
MW386.38 g/mol
LogP3.20
Rot. Bonds7

About methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate

methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate (PubChem CID 99785571) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate
PubChem CID99785571
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Namemethyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)c(O)c1
InChIInChI=1S/C20H19FN2O5/c1-26-16-8-5-13(9-15(16)24)19(20(25)27-2)23-11-18-22-10-17(28-18)12-3-6-14(21)7-4-12/h3-10,19,23-24H,11H2,1-2H3/t19-/m0/s1
InChIKeyBCRSILLREADFMH-IBGZPJMESA-N
XLogP3.20
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate with MolForge

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 2-methoxy-5-nitrobenzoate
CID 35199686
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate
CID 166339673
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490406
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
2-(3,4-dimethoxyphenyl)-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 51573743
methyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoate
CID 75866644

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate?
The IUPAC name of methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate (CID 99785571) is methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate?
The canonical SMILES for methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate is COC(=O)[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)c(O)c1.
What is the InChIKey of methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate?
The InChIKey is BCRSILLREADFMH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-26-16-8-5-13(9-15(16)24)19(20(25)27-2)23-11-18-22-10-17(28-18)12-3-6-14(21)7-4-12/h3-10,19,23-24H,11H2,1-2H3/t19-/m0/s1.
What are the key properties of methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate?
methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate has a molecular weight of 386.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-2-(3-hydroxy-4-methoxyphenyl)acetate is sourced from PubChem (CID 99785571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).