ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate

C20H16ClNO5 — CID 132531249

IUPACethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(-c2ccc(OC)cc2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO5/c1-3-26-20(24)19-16(18(23)13-4-8-14(21)9-5-13)17(22-27-19)12-6-10-15(25-2)11-7-12/h4-11H,3H2,1-2H3
InChIKeyBLTDZBOHIXKNSF-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.41
Rot. Bonds6

About ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate

ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate (PubChem CID 132531249) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
PubChem CID132531249
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Nameethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(-c2ccc(OC)cc2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO5/c1-3-26-20(24)19-16(18(23)13-4-8-14(21)9-5-13)17(22-27-19)12-6-10-15(25-2)11-7-12/h4-11H,3H2,1-2H3
InChIKeyBLTDZBOHIXKNSF-UHFFFAOYSA-N
XLogP4.41
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866
ethyl 3-(4-chlorophenyl)-5-[[2-(4-methylphenoxy)acetyl]amino]-1,2-oxazole-4-carboxylate
CID 108742922
ethyl 3-(4-chlorophenyl)-5-(2-methylpropanoylamino)-1,2-oxazole-4-carboxylate
CID 108742858
ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate
CID 71489624
ethyl 3-(4-chlorophenyl)-5-[(3-methylquinoxalin-2-yl)amino]-1,2-oxazole-4-carboxylate
CID 108777358
ethyl 3-(4-chlorophenyl)-5-(phenoxycarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742877
ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
CID 69142158
ethyl 3-(4-chlorophenyl)-5-[4-(4-methylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108765301
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108777355

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate (CID 132531249) is ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1onc(-c2ccc(OC)cc2)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate?
The InChIKey is BLTDZBOHIXKNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-3-26-20(24)19-16(18(23)13-4-8-14(21)9-5-13)17(22-27-19)12-6-10-15(25-2)11-7-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate?
ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate has a molecular weight of 385.80 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 132531249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).