N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C21H21N3O4 — CID 51120703

IUPACN-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)c1
InChIInChI=1S/C21H21N3O4/c1-13-4-5-14(2)19(10-13)27-12-20(25)23-16-6-8-17(9-7-16)24-21(26)18-11-22-28-15(18)3/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWWKBZEGEXVIYIX-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.87
Rot. Bonds6

About N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 51120703) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID51120703
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)c1
InChIInChI=1S/C21H21N3O4/c1-13-4-5-14(2)19(10-13)27-12-20(25)23-16-6-8-17(9-7-16)24-21(26)18-11-22-28-15(18)3/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWWKBZEGEXVIYIX-UHFFFAOYSA-N
XLogP3.87
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
CID 107655851
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 51120703) is N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)c1.
What is the InChIKey of N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WWKBZEGEXVIYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-4-5-14(2)19(10-13)27-12-20(25)23-16-6-8-17(9-7-16)24-21(26)18-11-22-28-15(18)3/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51120703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).