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

C21H22N2O3 — CID 19492323

IUPACN-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1noc(C)c1COc1ccc(C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-16-7-5-6-8-19(16)22-21(24)20-18(15(3)26-23-20)13-25-17-11-9-14(2)10-12-17/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyAHNWOVAQYSGKHV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.69
Rot. Bonds6

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

N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19492323) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19492323
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1noc(C)c1COc1ccc(C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-16-7-5-6-8-19(16)22-21(24)20-18(15(3)26-23-20)13-25-17-11-9-14(2)10-12-17/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyAHNWOVAQYSGKHV-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

N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
N-(2-ethylphenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 19589167
N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488534
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443591
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 19445270
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19492323) is N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CCc1ccccc1NC(=O)c1noc(C)c1COc1ccc(C)cc1.
What is the InChIKey of N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AHNWOVAQYSGKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-16-7-5-6-8-19(16)22-21(24)20-18(15(3)26-23-20)13-25-17-11-9-14(2)10-12-17/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(2-ethylphenyl)-5-methyl-4-[(4-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-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).