N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide

C24H28N2O3 — CID 42790003

IUPACN-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC1CC(c2ccccc2OC)=NO1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-4-15-26(24(27)20(5-2)18-11-7-6-8-12-18)17-19-16-22(25-29-19)21-13-9-10-14-23(21)28-3/h4,6-14,19-20H,1,5,15-17H2,2-3H3
InChIKeyZJRRQBWFIHJLMZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.40
Rot. Bonds9

About N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide

N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide (PubChem CID 42790003) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide
PubChem CID42790003
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC1CC(c2ccccc2OC)=NO1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-4-15-26(24(27)20(5-2)18-11-7-6-8-12-18)17-19-16-22(25-29-19)21-13-9-10-14-23(21)28-3/h4,6-14,19-20H,1,5,15-17H2,2-3H3
InChIKeyZJRRQBWFIHJLMZ-UHFFFAOYSA-N
XLogP4.40
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-prop-2-enylurea
CID 42790380
N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 42816003
ethyl 4-[[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enylcarbamoyl]amino]benzoate
CID 42790386
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide
CID 42790209
N-[(2,4-difluorophenyl)methyl]-N-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
CID 93115772
N-benzyl-4-fluoro-N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42789979
1-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-ethyl-1-prop-2-enylurea
CID 42816084
1-benzyl-3-tert-butyl-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790373
ethyl 4-[benzyl-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-4-oxobutanoate
CID 7356159
N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-methyl-N-prop-2-enylbenzamide
CID 42793709
N-benzyl-N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
CID 42789990
N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42790044

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide?
The IUPAC name of N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide (CID 42790003) is N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide.
What is the SMILES notation for N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide?
The canonical SMILES for N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide is C=CCN(CC1CC(c2ccccc2OC)=NO1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide?
The InChIKey is ZJRRQBWFIHJLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-15-26(24(27)20(5-2)18-11-7-6-8-12-18)17-19-16-22(25-29-19)21-13-9-10-14-23(21)28-3/h4,6-14,19-20H,1,5,15-17H2,2-3H3.
What are the key properties of N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide?
N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide has a molecular weight of 392.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 42790003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).