N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C22H24N2O4 — CID 110424249

IUPACN-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NCCCc3ccc(O)cc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-20(24-22(28-15)17-7-11-19(27-2)12-8-17)14-21(26)23-13-3-4-16-5-9-18(25)10-6-16/h5-12,25H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyCEJFSHLASCGXOD-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.66
Rot. Bonds8

About N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110424249) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110424249
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NCCCc3ccc(O)cc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-20(24-22(28-15)17-7-11-19(27-2)12-8-17)14-21(26)23-13-3-4-16-5-9-18(25)10-6-16/h5-12,25H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyCEJFSHLASCGXOD-UHFFFAOYSA-N
XLogP3.66
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110610248
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-methoxypropyl)acetamide
CID 20860380
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 110632792
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371886
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632482

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110424249) is N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)NCCCc3ccc(O)cc3)c(C)o2)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is CEJFSHLASCGXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-20(24-22(28-15)17-7-11-19(27-2)12-8-17)14-21(26)23-13-3-4-16-5-9-18(25)10-6-16/h5-12,25H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110424249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).