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

C15H16ClNO3 — CID 114371007

IUPACmethyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(-c2cccc(Cl)c2)nc1C(C)(C)C
InChIInChI=1S/C15H16ClNO3/c1-15(2,3)12-11(14(18)19-4)20-13(17-12)9-6-5-7-10(16)8-9/h5-8H,1-4H3
InChIKeyWSZXXSLGTGCZEA-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.08
Rot. Bonds2

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

methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate (PubChem CID 114371007) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate
PubChem CID114371007
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namemethyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(-c2cccc(Cl)c2)nc1C(C)(C)C
InChIInChI=1S/C15H16ClNO3/c1-15(2,3)12-11(14(18)19-4)20-13(17-12)9-6-5-7-10(16)8-9/h5-8H,1-4H3
InChIKeyWSZXXSLGTGCZEA-UHFFFAOYSA-N
XLogP4.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-tert-butyl-2-(3,4-dichlorophenyl)-1,3-oxazole-5-carboxylate
CID 114370946
methyl 4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylate
CID 114370795
methyl 4-tert-butyl-2-(2-chloro-4-methylphenyl)-1,3-oxazole-5-carboxylate
CID 106864476
methyl 4-tert-butyl-2-(4-cyanophenyl)-1,3-oxazole-5-carboxylate
CID 114370790
methyl 4-tert-butyl-2-(5-chlorothiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370800
methyl 2-(3-bromo-5-methylphenyl)-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114371012
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
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
methyl 4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylate
CID 114370887

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate (CID 114371007) is methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate is COC(=O)c1oc(-c2cccc(Cl)c2)nc1C(C)(C)C.
What is the InChIKey of methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate?
The InChIKey is WSZXXSLGTGCZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-15(2,3)12-11(14(18)19-4)20-13(17-12)9-6-5-7-10(16)8-9/h5-8H,1-4H3.
What are the key properties of methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate?
methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate has a molecular weight of 293.75 g/mol, XLogP of 4.08, 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-(3-chlorophenyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).