(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C21H17F2NO5 — CID 43051300

IUPAC(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOC(=O)C(OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1
InChIInChI=1S/C21H17F2NO5/c1-27-21(26)20(13-6-3-2-4-7-13)29-18(25)11-10-17-24-12-16(28-17)19-14(22)8-5-9-15(19)23/h2-9,12,20H,10-11H2,1H3
InChIKeyFBGJCQVBPFPWBF-UHFFFAOYSA-N
MW401.37 g/mol
LogP4.01
Rot. Bonds7

About (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 43051300) has the molecular formula C21H17F2NO5 and a molecular weight of 401.37 g/mol. Its IUPAC name is (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID43051300
Molecular FormulaC21H17F2NO5
Molecular Weight401.37 g/mol
Exact Mass401.11
IUPAC Name(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOC(=O)C(OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1
InChIInChI=1S/C21H17F2NO5/c1-27-21(26)20(13-6-3-2-4-7-13)29-18(25)11-10-17-24-12-16(28-17)19-14(22)8-5-9-15(19)23/h2-9,12,20H,10-11H2,1H3
InChIKeyFBGJCQVBPFPWBF-UHFFFAOYSA-N
XLogP4.01
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46687967
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695283
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 18279977
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24633881
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 18286036
(7-methoxynaphthalen-2-yl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46690882
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 43051300) is (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is COC(=O)C(OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1.
What is the InChIKey of (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is FBGJCQVBPFPWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO5/c1-27-21(26)20(13-6-3-2-4-7-13)29-18(25)11-10-17-24-12-16(28-17)19-14(22)8-5-9-15(19)23/h2-9,12,20H,10-11H2,1H3.
What are the key properties of (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 401.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 43051300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).