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

C21H20F2N2O4 — CID 19444790

IUPACN-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2c(C(=O)Nc3ccccc3OC(F)F)noc2C)c1
InChIInChI=1S/C21H20F2N2O4/c1-12-8-9-13(2)18(10-12)27-11-15-14(3)29-25-19(15)20(26)24-16-6-4-5-7-17(16)28-21(22)23/h4-10,21H,11H2,1-3H3,(H,24,26)
InChIKeyJKQHWHXZZXYDNE-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.03
Rot. Bonds7

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

N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444790) has the molecular formula C21H20F2N2O4 and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19444790
Molecular FormulaC21H20F2N2O4
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2c(C(=O)Nc3ccccc3OC(F)F)noc2C)c1
InChIInChI=1S/C21H20F2N2O4/c1-12-8-9-13(2)18(10-12)27-11-15-14(3)29-25-19(15)20(26)24-16-6-4-5-7-17(16)28-21(22)23/h4-10,21H,11H2,1-3H3,(H,24,26)
InChIKeyJKQHWHXZZXYDNE-UHFFFAOYSA-N
XLogP5.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490554
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-(2-fluoro-5-methylphenyl)-4-[(2-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442833
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484171
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
N-(5-bromo-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444657
4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444842
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 40706586
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide
CID 19444856
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444844

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444790) is N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(OCc2c(C(=O)Nc3ccccc3OC(F)F)noc2C)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JKQHWHXZZXYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4/c1-12-8-9-13(2)18(10-12)27-11-15-14(3)29-25-19(15)20(26)24-16-6-4-5-7-17(16)28-21(22)23/h4-10,21H,11H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).