4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide

C20H24F2N2O4 — CID 110234591

IUPAC4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1
InChIInChI=1S/C20H24F2N2O4/c1-13(12-26-2)23-19(25)20(5-7-27-8-6-20)11-15-10-18(24-28-15)16-4-3-14(21)9-17(16)22/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,23,25)
InChIKeyVDZLKNPJVWFMGO-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.11
Rot. Bonds7

About 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide

4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide (PubChem CID 110234591) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
PubChem CID110234591
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
SMILESCOCC(C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1
InChIInChI=1S/C20H24F2N2O4/c1-13(12-26-2)23-19(25)20(5-7-27-8-6-20)11-15-10-18(24-28-15)16-4-3-14(21)9-17(16)22/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,23,25)
InChIKeyVDZLKNPJVWFMGO-UHFFFAOYSA-N
XLogP3.11
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide (CID 110234591) is 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide is COCC(C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1.
What is the InChIKey of 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
The InChIKey is VDZLKNPJVWFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4/c1-13(12-26-2)23-19(25)20(5-7-27-8-6-20)11-15-10-18(24-28-15)16-4-3-14(21)9-17(16)22/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide?
4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 110234591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).