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

C21H26N4O3 — CID 19484187

IUPAC4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)NCc3c(C)nn(C)c3C)noc2C)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-12-7-8-19(13(2)9-12)27-11-18-16(5)28-24-20(18)21(26)22-10-17-14(3)23-25(6)15(17)4/h7-9H,10-11H2,1-6H3,(H,22,26)
InChIKeyROPBAOLJPMUSIR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.46
Rot. Bonds6

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

4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19484187) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19484187
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)NCc3c(C)nn(C)c3C)noc2C)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-12-7-8-19(13(2)9-12)27-11-18-16(5)28-24-20(18)21(26)22-10-17-14(3)23-25(6)15(17)4/h7-9H,10-11H2,1-6H3,(H,22,26)
InChIKeyROPBAOLJPMUSIR-UHFFFAOYSA-N
XLogP3.46
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(4-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488545
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484323
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484141
4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19484285
4-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19484143
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-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444848
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444919
N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
N-(5-chloro-2-pyridinyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484152
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484171

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 19484187) is 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2c(C(=O)NCc3c(C)nn(C)c3C)noc2C)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ROPBAOLJPMUSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-7-8-19(13(2)9-12)27-11-18-16(5)28-24-20(18)21(26)22-10-17-14(3)23-25(6)15(17)4/h7-9H,10-11H2,1-6H3,(H,22,26).
What are the key properties of 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19484187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).