2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine

C21H23F2N3O3 — CID 143993437

IUPAC2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine
SMILESCc1ccc(OCCN(C)C)cc1.NC(=O)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H17NO.C10H6F2N2O2/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;11-5-2-1-3-6(12)8(5)10-14-7(4-16-10)9(13)15/h4-7H,8-9H2,1-3H3;1-4H,(H2,13,15)
InChIKeyWAMRWLXLDSYVMG-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.65
Rot. Bonds6

About 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine

2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine (PubChem CID 143993437) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine
PubChem CID143993437
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine
SMILESCc1ccc(OCCN(C)C)cc1.NC(=O)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H17NO.C10H6F2N2O2/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;11-5-2-1-3-6(12)8(5)10-14-7(4-16-10)9(13)15/h4-7H,8-9H2,1-3H3;1-4H,(H2,13,15)
InChIKeyWAMRWLXLDSYVMG-UHFFFAOYSA-N
XLogP3.65
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
CID 59587395
2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095
2-amino-N-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257772
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 31285128
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine (CID 143993437) is 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine is Cc1ccc(OCCN(C)C)cc1.NC(=O)c1coc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine?
The InChIKey is WAMRWLXLDSYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C10H6F2N2O2/c1-10-4-6-11(7-5-10)13-9-8-12(2)3;11-5-2-1-3-6(12)8(5)10-14-7(4-16-10)9(13)15/h4-7H,8-9H2,1-3H3;1-4H,(H2,13,15).
What are the key properties of 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine?
2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine has a molecular weight of 403.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;N,N-dimethyl-2-(4-methylphenoxy)ethanamine is sourced from PubChem (CID 143993437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).