3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole

C16H18F3N3O2 — CID 75441242

IUPAC3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H18F3N3O2/c1-10-14(11(2)24-21-10)9-22-6-5-13(8-22)23-15-4-3-12(7-20-15)16(17,18)19/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyCCUGNFXCCMKDRT-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.36
Rot. Bonds4

About 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 75441242) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID75441242
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H18F3N3O2/c1-10-14(11(2)24-21-10)9-22-6-5-13(8-22)23-15-4-3-12(7-20-15)16(17,18)19/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyCCUGNFXCCMKDRT-UHFFFAOYSA-N
XLogP3.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 75441242) is 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CCUGNFXCCMKDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10-14(11(2)24-21-10)9-22-6-5-13(8-22)23-15-4-3-12(7-20-15)16(17,18)19/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 341.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 75441242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).