[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate

C27H21ClN2O6 — CID 167759952

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)CCc1ncc(-c3ccc(Cl)cc3)o1)oc1ccccc12
InChIInChI=1S/C27H21ClN2O6/c1-33-23-12-19-18-4-2-3-5-21(18)35-22(19)13-20(23)30-25(31)15-34-27(32)11-10-26-29-14-24(36-26)16-6-8-17(28)9-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,30,31)
InChIKeyARFJMSWIVWHVPQ-UHFFFAOYSA-N
MW504.93 g/mol
LogP6.02
Rot. Bonds8

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 167759952) has the molecular formula C27H21ClN2O6 and a molecular weight of 504.93 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID167759952
Molecular FormulaC27H21ClN2O6
Molecular Weight504.93 g/mol
Exact Mass504.11
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)CCc1ncc(-c3ccc(Cl)cc3)o1)oc1ccccc12
InChIInChI=1S/C27H21ClN2O6/c1-33-23-12-19-18-4-2-3-5-21(18)35-22(19)13-20(23)30-25(31)15-34-27(32)11-10-26-29-14-24(36-26)16-6-8-17(28)9-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,30,31)
InChIKeyARFJMSWIVWHVPQ-UHFFFAOYSA-N
XLogP6.02
TPSA103.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38898960
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 26207632
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490406
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55361814
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate (CID 167759952) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate is COc1cc2c(cc1NC(=O)COC(=O)CCc1ncc(-c3ccc(Cl)cc3)o1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is ARFJMSWIVWHVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O6/c1-33-23-12-19-18-4-2-3-5-21(18)35-22(19)13-20(23)30-25(31)15-34-27(32)11-10-26-29-14-24(36-26)16-6-8-17(28)9-7-16/h2-9,12-14H,10-11,15H2,1H3,(H,30,31).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 504.93 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 167759952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).