methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

C18H13ClN2O5 — CID 86646255

IUPACmethyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C=O)nc1
InChIInChI=1S/C18H13ClN2O5/c1-24-18(23)12-4-7-16(20-8-12)25-10-14-15(9-22)26-21-17(14)11-2-5-13(19)6-3-11/h2-9H,10H2,1H3
InChIKeyXQMPIBXBYTZAOB-UHFFFAOYSA-N
MW372.76 g/mol
LogP3.57
Rot. Bonds6

About methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (PubChem CID 86646255) has the molecular formula C18H13ClN2O5 and a molecular weight of 372.76 g/mol. Its IUPAC name is methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
PubChem CID86646255
Molecular FormulaC18H13ClN2O5
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC Namemethyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C=O)nc1
InChIInChI=1S/C18H13ClN2O5/c1-24-18(23)12-4-7-16(20-8-12)25-10-14-15(9-22)26-21-17(14)11-2-5-13(19)6-3-11/h2-9H,10H2,1H3
InChIKeyXQMPIBXBYTZAOB-UHFFFAOYSA-N
XLogP3.57
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 3-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
CID 86761556
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 42630774
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N'-(cyclopropylmethyl)pyridine-3-carboximidamide
CID 123504063
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-[(2R)-2-hydroxycyclopentylidene]pyridine-3-carboxamide
CID 163959762
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
CID 66718168
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (CID 86646255) is methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2C=O)nc1.
What is the InChIKey of methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is XQMPIBXBYTZAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O5/c1-24-18(23)12-4-7-16(20-8-12)25-10-14-15(9-22)26-21-17(14)11-2-5-13(19)6-3-11/h2-9H,10H2,1H3.
What are the key properties of methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 372.76 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 86646255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).