N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C21H22N2O3 — CID 19488534

IUPACN-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3c(C)cccc3C)noc2C)cc1
InChIInChI=1S/C21H22N2O3/c1-13-8-10-17(11-9-13)25-12-18-16(4)26-23-20(18)21(24)22-19-14(2)6-5-7-15(19)3/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeySAUIXHZNAVMJKP-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.74
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488534) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19488534
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3c(C)cccc3C)noc2C)cc1
InChIInChI=1S/C21H22N2O3/c1-13-8-10-17(11-9-13)25-12-18-16(4)26-23-20(18)21(24)22-19-14(2)6-5-7-15(19)3/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeySAUIXHZNAVMJKP-UHFFFAOYSA-N
XLogP4.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492323
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443591
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338
5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 19492461
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492393
5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 19492460

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488534) is N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2c(C(=O)Nc3c(C)cccc3C)noc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SAUIXHZNAVMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-8-10-17(11-9-13)25-12-18-16(4)26-23-20(18)21(24)22-19-14(2)6-5-7-15(19)3/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).