N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide

C26H20F4N2O3 — CID 155287045

IUPACN-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(OC(F)F)c(-c3ccccc3)c2)nc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C26H20F4N2O3/c1-15-22(23(33)31-19-10-6-9-18(14-19)26(2,29)30)32-24(34-15)17-11-12-21(35-25(27)28)20(13-17)16-7-4-3-5-8-16/h3-14,25H,1-2H3,(H,31,33)
InChIKeyNHVSBXPZVHKXHX-UHFFFAOYSA-N
MW484.45 g/mol
LogP7.28
Rot. Bonds7

About N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 155287045) has the molecular formula C26H20F4N2O3 and a molecular weight of 484.45 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID155287045
Molecular FormulaC26H20F4N2O3
Molecular Weight484.45 g/mol
Exact Mass484.14
IUPAC NameN-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(OC(F)F)c(-c3ccccc3)c2)nc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C26H20F4N2O3/c1-15-22(23(33)31-19-10-6-9-18(14-19)26(2,29)30)32-24(34-15)17-11-12-21(35-25(27)28)20(13-17)16-7-4-3-5-8-16/h3-14,25H,1-2H3,(H,31,33)
InChIKeyNHVSBXPZVHKXHX-UHFFFAOYSA-N
XLogP7.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.45
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)-N-[3-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 155311133
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 155311333
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525239
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 175455143
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
CID 155287010
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 155287045) is N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccc(OC(F)F)c(-c3ccccc3)c2)nc1C(=O)Nc1cccc(C(C)(F)F)c1.
What is the InChIKey of N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is NHVSBXPZVHKXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N2O3/c1-15-22(23(33)31-19-10-6-9-18(14-19)26(2,29)30)32-24(34-15)17-11-12-21(35-25(27)28)20(13-17)16-7-4-3-5-8-16/h3-14,25H,1-2H3,(H,31,33).
What are the key properties of N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 484.45 g/mol, XLogP of 7.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155287045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).