N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C21H21N3O4 — CID 33308762

IUPACN-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1NC(C)=O
InChIInChI=1S/C21H21N3O4/c1-14(25)23-17-12-16(8-9-18(17)27-2)24-20(26)10-11-21-22-13-19(28-21)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWTAIQGRITFVOKU-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.88
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 33308762) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID33308762
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1NC(C)=O
InChIInChI=1S/C21H21N3O4/c1-14(25)23-17-12-16(8-9-18(17)27-2)24-20(26)10-11-21-22-13-19(28-21)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWTAIQGRITFVOKU-UHFFFAOYSA-N
XLogP3.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 33308093
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505
N-(2-methoxy-5-nitrophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51314321
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 33308762) is N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is COc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is WTAIQGRITFVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(25)23-17-12-16(8-9-18(17)27-2)24-20(26)10-11-21-22-13-19(28-21)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 379.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 33308762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).