2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide

C20H19F2N3O3 — CID 59587395

IUPAC2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCOc1ccc(-c2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C20H19F2N3O3/c1-25(2)10-11-27-13-8-6-12(7-9-13)18-17(19(23)26)24-20(28-18)16-14(21)4-3-5-15(16)22/h3-9H,10-11H2,1-2H3,(H2,23,26)
InChIKeyNBRIKJRHVHDIFD-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.33
Rot. Bonds7

About 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 59587395) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID59587395
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCOc1ccc(-c2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C20H19F2N3O3/c1-25(2)10-11-27-13-8-6-12(7-9-13)18-17(19(23)26)24-20(28-18)16-14(21)4-3-5-15(16)22/h3-9H,10-11H2,1-2H3,(H2,23,26)
InChIKeyNBRIKJRHVHDIFD-UHFFFAOYSA-N
XLogP3.33
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine
CID 143993437
2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 91386099
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520217
2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520905
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
2-(4-butoxyphenyl)-1,3-difluorobenzene
CID 59931484
5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737104
3-amino-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183325
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095
7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 31285128
2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide (CID 59587395) is 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide is CN(C)CCOc1ccc(-c2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NBRIKJRHVHDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-25(2)10-11-27-13-8-6-12(7-9-13)18-17(19(23)26)24-20(28-18)16-14(21)4-3-5-15(16)22/h3-9H,10-11H2,1-2H3,(H2,23,26).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).