[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C20H15ClF3N3O3 — CID 122251896

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C20H15ClF3N3O3/c1-11-17(18(26-30-11)13-5-2-3-6-14(13)21)19(28)27-9-12(10-27)29-16-8-4-7-15(25-16)20(22,23)24/h2-8,12H,9-10H2,1H3
InChIKeySQDSOOJHTQUNKZ-UHFFFAOYSA-N
MW437.81 g/mol
LogP4.62
Rot. Bonds4

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 122251896) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID122251896
Molecular FormulaC20H15ClF3N3O3
Molecular Weight437.81 g/mol
Exact Mass437.08
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C20H15ClF3N3O3/c1-11-17(18(26-30-11)13-5-2-3-6-14(13)21)19(28)27-9-12(10-27)29-16-8-4-7-15(25-16)20(22,23)24/h2-8,12H,9-10H2,1H3
InChIKeySQDSOOJHTQUNKZ-UHFFFAOYSA-N
XLogP4.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 122251896) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is SQDSOOJHTQUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c1-11-17(18(26-30-11)13-5-2-3-6-14(13)21)19(28)27-9-12(10-27)29-16-8-4-7-15(25-16)20(22,23)24/h2-8,12H,9-10H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 437.81 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122251896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).