ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate

C18H24N2O4 — CID 42790278

IUPACethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H24N2O4/c1-3-20(17(21)10-11-18(22)23-4-2)13-15-12-16(19-24-15)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyZERVIOILCLGMHN-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.37
Rot. Bonds8

About ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate

ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate (PubChem CID 42790278) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
PubChem CID42790278
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H24N2O4/c1-3-20(17(21)10-11-18(22)23-4-2)13-15-12-16(19-24-15)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyZERVIOILCLGMHN-UHFFFAOYSA-N
XLogP2.37
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate with MolForge

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Related Compounds

3-cyclopentyl-N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
CID 42790264
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
ethyl 4-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-4-oxobutanoate
CID 42790221
ethyl 2-[[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamoyl]amino]acetate
CID 42790510
ethyl 4-[benzyl-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-4-oxobutanoate
CID 7356159
N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 42790273
1-ethyl-3-(2-fluorophenyl)-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 5201445
N-ethyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxyacetamide
CID 24712066
N-ethyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,3-dimethylbutanamide
CID 42815934
ethyl 4-[[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamoyl]amino]benzoate
CID 42790505
N,3,3-trimethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]butanamide
CID 42790316
3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790346

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate (CID 42790278) is ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate?
The InChIKey is ZERVIOILCLGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-20(17(21)10-11-18(22)23-4-2)13-15-12-16(19-24-15)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate?
ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate has a molecular weight of 332.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate is sourced from PubChem (CID 42790278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).