N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C23H25N3O3 — CID 41331644

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-19(17)26-22(28)15-24-21(27)12-13-23-25-14-20(29-23)18-10-8-16(2)9-11-18/h4-11,14H,3,12-13,15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyYBARDIGVYJWTMI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.90
Rot. Bonds8

About N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 41331644) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID41331644
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-19(17)26-22(28)15-24-21(27)12-13-23-25-14-20(29-23)18-10-8-16(2)9-11-18/h4-11,14H,3,12-13,15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyYBARDIGVYJWTMI-UHFFFAOYSA-N
XLogP3.90
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60555563
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24606784
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55912574

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 41331644) is N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is CCc1ccccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is YBARDIGVYJWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-17-6-4-5-7-19(17)26-22(28)15-24-21(27)12-13-23-25-14-20(29-23)18-10-8-16(2)9-11-18/h4-11,14H,3,12-13,15H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 41331644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).