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

C25H30N6O3 — CID 19445203

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cn2nc(C)c(NC(=O)c3noc(C)c3COc3ccc(C)c(C)c3)c2C)n1
InChIInChI=1S/C25H30N6O3/c1-14-8-9-21(10-15(14)2)33-12-22-20(7)34-29-24(22)25(32)26-23-18(5)28-31(19(23)6)13-30-17(4)11-16(3)27-30/h8-11H,12-13H2,1-7H3,(H,26,32)
InChIKeyJIKXEMJOLYGYAD-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.56
Rot. Bonds7

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

4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19445203) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19445203
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cn2nc(C)c(NC(=O)c3noc(C)c3COc3ccc(C)c(C)c3)c2C)n1
InChIInChI=1S/C25H30N6O3/c1-14-8-9-21(10-15(14)2)33-12-22-20(7)34-29-24(22)25(32)26-23-18(5)28-31(19(23)6)13-30-17(4)11-16(3)27-30/h8-11H,12-13H2,1-7H3,(H,26,32)
InChIKeyJIKXEMJOLYGYAD-UHFFFAOYSA-N
XLogP4.56
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444981
N-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445219
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444227
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492523
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 71651871
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488198
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19445143
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492558
5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 19492461

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19445203) is 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cn2nc(C)c(NC(=O)c3noc(C)c3COc3ccc(C)c(C)c3)c2C)n1.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JIKXEMJOLYGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-14-8-9-21(10-15(14)2)33-12-22-20(7)34-29-24(22)25(32)26-23-18(5)28-31(19(23)6)13-30-17(4)11-16(3)27-30/h8-11H,12-13H2,1-7H3,(H,26,32).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).