methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate

C19H17ClN2O5 — CID 53022279

IUPACmethyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Cl)c2)noc1Nc1cc(OC)ccc1OC
InChIInChI=1S/C19H17ClN2O5/c1-24-13-7-8-15(25-2)14(10-13)21-18-16(19(23)26-3)17(22-27-18)11-5-4-6-12(20)9-11/h4-10,21H,1-3H3
InChIKeyCGGIIIQBCPEZJR-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.54
Rot. Bonds6

About methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate

methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate (PubChem CID 53022279) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
PubChem CID53022279
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Namemethyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Cl)c2)noc1Nc1cc(OC)ccc1OC
InChIInChI=1S/C19H17ClN2O5/c1-24-13-7-8-15(25-2)14(10-13)21-18-16(19(23)26-3)17(22-27-18)11-5-4-6-12(20)9-11/h4-10,21H,1-3H3
InChIKeyCGGIIIQBCPEZJR-UHFFFAOYSA-N
XLogP4.54
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate
CID 53008889
methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 94117851
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53022317
methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate
CID 53022295
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250
2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111813786
3-(2,6-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1255827
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111813785
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate (CID 53022279) is methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2cccc(Cl)c2)noc1Nc1cc(OC)ccc1OC.
What is the InChIKey of methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate?
The InChIKey is CGGIIIQBCPEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-24-13-7-8-15(25-2)14(10-13)21-18-16(19(23)26-3)17(22-27-18)11-5-4-6-12(20)9-11/h4-10,21H,1-3H3.
What are the key properties of methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate?
methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate has a molecular weight of 388.81 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 53022279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).