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

C21H22N2O3 — CID 19488250

IUPACN-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2noc(C)c2COc2cccc(C)c2)cc1
InChIInChI=1S/C21H22N2O3/c1-4-16-8-10-17(11-9-16)22-21(24)20-19(15(3)26-23-20)13-25-18-7-5-6-14(2)12-18/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyFLNWRJKNSPHJEP-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.69
Rot. Bonds6

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

N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488250) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19488250
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2noc(C)c2COc2cccc(C)c2)cc1
InChIInChI=1S/C21H22N2O3/c1-4-16-8-10-17(11-9-16)22-21(24)20-19(15(3)26-23-20)13-25-18-7-5-6-14(2)12-18/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyFLNWRJKNSPHJEP-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
N-(3,4-difluorophenyl)-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444531
4-[(2,3-dimethylphenoxy)methyl]-N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490449
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488191
4-[(4-ethylphenoxy)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444496
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444450
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444262
methyl 5-methyl-2-[[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19488295

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488250) is N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CCc1ccc(NC(=O)c2noc(C)c2COc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FLNWRJKNSPHJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-16-8-10-17(11-9-16)22-21(24)20-19(15(3)26-23-20)13-25-18-7-5-6-14(2)12-18/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).