methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate

C15H15Cl2NO3 — CID 114370795

IUPACmethyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(-c2c(Cl)cccc2Cl)nc1C(C)(C)C
InChIInChI=1S/C15H15Cl2NO3/c1-15(2,3)12-11(14(19)20-4)21-13(18-12)10-8(16)6-5-7-9(10)17/h5-7H,1-4H3
InChIKeyMEOIUOYWLNIQPO-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.73
Rot. Bonds2

About methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate

methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate (PubChem CID 114370795) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate
PubChem CID114370795
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Namemethyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(-c2c(Cl)cccc2Cl)nc1C(C)(C)C
InChIInChI=1S/C15H15Cl2NO3/c1-15(2,3)12-11(14(19)20-4)21-13(18-12)10-8(16)6-5-7-9(10)17/h5-7H,1-4H3
InChIKeyMEOIUOYWLNIQPO-UHFFFAOYSA-N
XLogP4.73
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylic acid
CID 114372736
methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate
CID 114371007
methyl 4-tert-butyl-2-(3,4-dichlorophenyl)-1,3-oxazole-5-carboxylate
CID 114370946
methyl 4-tert-butyl-2-(2-chloro-4-methylphenyl)-1,3-oxazole-5-carboxylate
CID 106864476
methyl 4-tert-butyl-2-(5-chlorothiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370800
methyl 4-tert-butyl-2-(2,5-dimethylphenyl)-1,3-oxazole-5-carboxylate
CID 114370843
methyl 4-tert-butyl-2-(2,5-dimethylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114370876
methyl 4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370887
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
methyl 2-(3-bromo-5-methylphenyl)-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114371012
methyl 2-butyl-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114370828
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate (CID 114370795) is methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate is COC(=O)c1oc(-c2c(Cl)cccc2Cl)nc1C(C)(C)C.
What is the InChIKey of methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate?
The InChIKey is MEOIUOYWLNIQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-15(2,3)12-11(14(19)20-4)21-13(18-12)10-8(16)6-5-7-9(10)17/h5-7H,1-4H3.
What are the key properties of methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate?
methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate has a molecular weight of 328.20 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114370795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).