ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate

C19H24N2O5 — CID 11595643

IUPACethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1NCCCCCC(=O)OC
InChIInChI=1S/C19H24N2O5/c1-3-25-19(23)16-18(20-13-9-5-8-12-15(22)24-2)26-17(21-16)14-10-6-4-7-11-14/h4,6-7,10-11,20H,3,5,8-9,12-13H2,1-2H3
InChIKeyJXTFIRFCCHINCK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.66
Rot. Bonds10

About ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate

ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 11595643) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID11595643
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1NCCCCCC(=O)OC
InChIInChI=1S/C19H24N2O5/c1-3-25-19(23)16-18(20-13-9-5-8-12-15(22)24-2)26-17(21-16)14-10-6-4-7-11-14/h4,6-7,10-11,20H,3,5,8-9,12-13H2,1-2H3
InChIKeyJXTFIRFCCHINCK-UHFFFAOYSA-N
XLogP3.66
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 4-[(16-methoxy-16-oxohexadecyl)amino]benzoate
CID 21163354
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate
CID 68572624
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 25123737
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate (CID 11595643) is ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)oc1NCCCCCC(=O)OC.
What is the InChIKey of ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is JXTFIRFCCHINCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-25-19(23)16-18(20-13-9-5-8-12-15(22)24-2)26-17(21-16)14-10-6-4-7-11-14/h4,6-7,10-11,20H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate?
ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6-methoxy-6-oxohexyl)amino]-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11595643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).