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

C12H7ClF3NO3 — CID 56930137

IUPACmethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C(F)(F)F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClF3NO3/c1-19-10(18)9-8(6-2-4-7(13)5-3-6)17-11(20-9)12(14,15)16/h2-5H,1H3
InChIKeyAKZIAMWCMXWECG-UHFFFAOYSA-N
MW305.64 g/mol
LogP3.80
Rot. Bonds2

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

methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 56930137) has the molecular formula C12H7ClF3NO3 and a molecular weight of 305.64 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID56930137
Molecular FormulaC12H7ClF3NO3
Molecular Weight305.64 g/mol
Exact Mass305.01
IUPAC Namemethyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C(F)(F)F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClF3NO3/c1-19-10(18)9-8(6-2-4-7(13)5-3-6)17-11(20-9)12(14,15)16/h2-5H,1H3
InChIKeyAKZIAMWCMXWECG-UHFFFAOYSA-N
XLogP3.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 56930137) is methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate is COC(=O)c1oc(C(F)(F)F)nc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is AKZIAMWCMXWECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO3/c1-19-10(18)9-8(6-2-4-7(13)5-3-6)17-11(20-9)12(14,15)16/h2-5H,1H3.
What are the key properties of methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 305.64 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 56930137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).