N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C25H24Cl2N4O3 — CID 19490629

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(OCc2c(C(=O)Nc3cc(C)n(Cc4c(Cl)cccc4Cl)n3)noc2C)c1C
InChIInChI=1S/C25H24Cl2N4O3/c1-14-7-5-10-22(16(14)3)33-13-19-17(4)34-30-24(19)25(32)28-23-11-15(2)31(29-23)12-18-20(26)8-6-9-21(18)27/h5-11H,12-13H2,1-4H3,(H,28,29,32)
InChIKeyZCIQFHUPMCXROH-UHFFFAOYSA-N
MW499.40 g/mol
LogP6.29
Rot. Bonds7

About N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19490629) has the molecular formula C25H24Cl2N4O3 and a molecular weight of 499.40 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19490629
Molecular FormulaC25H24Cl2N4O3
Molecular Weight499.40 g/mol
Exact Mass498.12
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(OCc2c(C(=O)Nc3cc(C)n(Cc4c(Cl)cccc4Cl)n3)noc2C)c1C
InChIInChI=1S/C25H24Cl2N4O3/c1-14-7-5-10-22(16(14)3)33-13-19-17(4)34-30-24(19)25(32)28-23-11-15(2)31(29-23)12-18-20(26)8-6-9-21(18)27/h5-11H,12-13H2,1-4H3,(H,28,29,32)
InChIKeyZCIQFHUPMCXROH-UHFFFAOYSA-N
XLogP6.29
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.40
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443537
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484067
N-(1-benzyl-5-methylpyrazol-3-yl)-4-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486253
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19444890
N-(1-benzyl-5-methylpyrazol-3-yl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19485953
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19485961
N-(2,4-dichlorophenyl)-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490378
5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488430
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19484072
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484160
N-(1-benzyl-1,2,4-triazol-3-yl)-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490591
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490544

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19490629) is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cccc(OCc2c(C(=O)Nc3cc(C)n(Cc4c(Cl)cccc4Cl)n3)noc2C)c1C.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZCIQFHUPMCXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O3/c1-14-7-5-10-22(16(14)3)33-13-19-17(4)34-30-24(19)25(32)28-23-11-15(2)31(29-23)12-18-20(26)8-6-9-21(18)27/h5-11H,12-13H2,1-4H3,(H,28,29,32).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 499.40 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19490629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).