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

C13H12ClNO4 — CID 9114662

IUPACmethoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOCOC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C13H12ClNO4/c1-8-11(13(16)18-7-17-2)12(15-19-8)9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3
InChIKeyXKOIFLOYLNQOEU-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.06
Rot. Bonds4

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

methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 9114662) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID9114662
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC Namemethoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCOCOC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C13H12ClNO4/c1-8-11(13(16)18-7-17-2)12(15-19-8)9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3
InChIKeyXKOIFLOYLNQOEU-UHFFFAOYSA-N
XLogP3.06
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016479
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704954
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704959
[2-(trifluoromethyl)phenyl]methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780512
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336891
[2-(4-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8704980
3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 884674
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7377040
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780439
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336620
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7780505
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336683

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 9114662) is methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is COCOC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XKOIFLOYLNQOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-8-11(13(16)18-7-17-2)12(15-19-8)9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3.
What are the key properties of methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 281.70 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 9114662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).