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

C15H18N2O3 — CID 51316585

IUPACN-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCONC(=O)CCc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C15H18N2O3/c1-3-19-17-14(18)8-9-15-16-10-13(20-15)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyYGTAVYCVJKHTHM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds6

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

N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 51316585) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID51316585
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCONC(=O)CCc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C15H18N2O3/c1-3-19-17-14(18)8-9-15-16-10-13(20-15)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyYGTAVYCVJKHTHM-UHFFFAOYSA-N
XLogP2.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
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
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
CID 51645784
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51100367
[2-(4-ethoxyanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579877

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 51316585) is N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is CCONC(=O)CCc1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is YGTAVYCVJKHTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-17-14(18)8-9-15-16-10-13(20-15)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 51316585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).