3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide

C19H18F2N2O4 — CID 162674585

IUPAC3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide
SMILESCCOc1cccc(C2=NOC(COc3ccc(F)c(C(N)=O)c3F)C2)c1
InChIInChI=1S/C19H18F2N2O4/c1-2-25-12-5-3-4-11(8-12)15-9-13(27-23-15)10-26-16-7-6-14(20)17(18(16)21)19(22)24/h3-8,13H,2,9-10H2,1H3,(H2,22,24)
InChIKeyDSYJCVKPOINQKU-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.03
Rot. Bonds7

About 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide

3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 162674585) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide
PubChem CID162674585
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide
SMILESCCOc1cccc(C2=NOC(COc3ccc(F)c(C(N)=O)c3F)C2)c1
InChIInChI=1S/C19H18F2N2O4/c1-2-25-12-5-3-4-11(8-12)15-9-13(27-23-15)10-26-16-7-6-14(20)17(18(16)21)19(22)24/h3-8,13H,2,9-10H2,1H3,(H2,22,24)
InChIKeyDSYJCVKPOINQKU-UHFFFAOYSA-N
XLogP3.03
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide (CID 162674585) is 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide is CCOc1cccc(C2=NOC(COc3ccc(F)c(C(N)=O)c3F)C2)c1.
What is the InChIKey of 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is DSYJCVKPOINQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-2-25-12-5-3-4-11(8-12)15-9-13(27-23-15)10-26-16-7-6-14(20)17(18(16)21)19(22)24/h3-8,13H,2,9-10H2,1H3,(H2,22,24).
What are the key properties of 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide?
3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 376.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-ethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 162674585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).