ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate

C20H18N2O5 — CID 20963655

IUPACethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ncoc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H18N2O5/c1-3-26-20(24)13-7-9-15(10-8-13)22-19(23)17-18(27-12-21-17)14-5-4-6-16(11-14)25-2/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyUJRFBLIWNZTYIF-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.78
Rot. Bonds6

About ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate

ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate (PubChem CID 20963655) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
PubChem CID20963655
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Nameethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ncoc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H18N2O5/c1-3-26-20(24)13-7-9-15(10-8-13)22-19(23)17-18(27-12-21-17)14-5-4-6-16(11-14)25-2/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyUJRFBLIWNZTYIF-UHFFFAOYSA-N
XLogP3.78
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
N-(3-fluoro-4-methylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963666
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
N-(2,4-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963654
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018
N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 126470018
ethyl 4-[(3-methoxyphenyl)carbamothioylamino]benzoate
CID 976671

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate (CID 20963655) is ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ncoc2-c2cccc(OC)c2)cc1.
What is the InChIKey of ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate?
The InChIKey is UJRFBLIWNZTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-26-20(24)13-7-9-15(10-8-13)22-19(23)17-18(27-12-21-17)14-5-4-6-16(11-14)25-2/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate?
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate has a molecular weight of 366.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 20963655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).