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

C24H25N5O3 — CID 19445143

IUPAC4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3ncn(Cc4ccccc4C)n3)noc2C)cc1C
InChIInChI=1S/C24H25N5O3/c1-15-9-10-20(11-17(15)3)31-13-21-18(4)32-28-22(21)23(30)26-24-25-14-29(27-24)12-19-8-6-5-7-16(19)2/h5-11,14H,12-13H2,1-4H3,(H,26,27,30)
InChIKeyZQKGTSIXHUQNMC-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.38
Rot. Bonds7

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

4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19445143) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID19445143
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3ncn(Cc4ccccc4C)n3)noc2C)cc1C
InChIInChI=1S/C24H25N5O3/c1-15-9-10-20(11-17(15)3)31-13-21-18(4)32-28-22(21)23(30)26-24-25-14-29(27-24)12-19-8-6-5-7-16(19)2/h5-11,14H,12-13H2,1-4H3,(H,26,27,30)
InChIKeyZQKGTSIXHUQNMC-UHFFFAOYSA-N
XLogP4.38
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444402
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
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
4-[(2-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443497
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19445260
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445428
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445012
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19445433
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19492670
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445441
N-(1-benzyl-1,2,4-triazol-3-yl)-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490591

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 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) is 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2c(C(=O)Nc3ncn(Cc4ccccc4C)n3)noc2C)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZQKGTSIXHUQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-9-10-20(11-17(15)3)31-13-21-18(4)32-28-22(21)23(30)26-24-25-14-29(27-24)12-19-8-6-5-7-16(19)2/h5-11,14H,12-13H2,1-4H3,(H,26,27,30).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).