1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C21H19F2NO4 — CID 55913740

IUPAC1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)OC(C)c2cc(F)ccc2F)c1
InChIInChI=1S/C21H19F2NO4/c1-12-19(14(3)28-24-12)11-26-17-6-4-5-15(9-17)21(25)27-13(2)18-10-16(22)7-8-20(18)23/h4-10,13H,11H2,1-3H3
InChIKeyDVFJCYWUVBVNCU-UHFFFAOYSA-N
MW387.38 g/mol
LogP5.07
Rot. Bonds6

About 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 55913740) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID55913740
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)OC(C)c2cc(F)ccc2F)c1
InChIInChI=1S/C21H19F2NO4/c1-12-19(14(3)28-24-12)11-26-17-6-4-5-15(9-17)21(25)27-13(2)18-10-16(22)7-8-20(18)23/h4-10,13H,11H2,1-3H3
InChIKeyDVFJCYWUVBVNCU-UHFFFAOYSA-N
XLogP5.07
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 40793044
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589193
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7269971
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 51198625
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589019
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate
CID 55546268
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55420957
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 55913740) is 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1cccc(C(=O)OC(C)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is DVFJCYWUVBVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-12-19(14(3)28-24-12)11-26-17-6-4-5-15(9-17)21(25)27-13(2)18-10-16(22)7-8-20(18)23/h4-10,13H,11H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 387.38 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 55913740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).