4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H23FN4O3 — CID 19444819

IUPAC4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2c(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)noc2C)c1
InChIInChI=1S/C24H23FN4O3/c1-15-7-8-16(2)22(9-15)31-14-21-17(3)32-28-23(21)24(30)27-20-11-26-29(13-20)12-18-5-4-6-19(25)10-18/h4-11,13H,12,14H2,1-3H3,(H,27,30)
InChIKeyHIOMNJNKOWMVBF-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.82
Rot. Bonds7

About 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444819) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19444819
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2c(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)noc2C)c1
InChIInChI=1S/C24H23FN4O3/c1-15-7-8-16(2)22(9-15)31-14-21-17(3)32-28-23(21)24(30)27-20-11-26-29(13-20)12-18-5-4-6-19(25)10-18/h4-11,13H,12,14H2,1-3H3,(H,27,30)
InChIKeyHIOMNJNKOWMVBF-UHFFFAOYSA-N
XLogP4.82
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444802
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444797
N-(1-benzylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483918
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444914
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484129
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484261
N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488566
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442899
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492737
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488442
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483872
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492393

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444819) is 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(OCc2c(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)noc2C)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HIOMNJNKOWMVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15-7-8-16(2)22(9-15)31-14-21-17(3)32-28-23(21)24(30)27-20-11-26-29(13-20)12-18-5-4-6-19(25)10-18/h4-11,13H,12,14H2,1-3H3,(H,27,30).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).