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

C16H18F3N3O2 — CID 97159383

IUPAC3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CC[C@H](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/t13-/m0/s1
InChIKeyCCUGNFXCCMKDRT-ZDUSSCGKSA-N
MW341.33 g/mol
LogP3.36
Rot. Bonds4

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

3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 97159383) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID97159383
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CC[C@H](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/t13-/m0/s1
InChIKeyCCUGNFXCCMKDRT-ZDUSSCGKSA-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

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

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Related Compounds

2-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-5-trifluoromethylpyridine
CID 68442706
1-Methyl-2'-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-1,2,3,6-tetrahydro-[4,4']bipyridinyl
CID 68456625
butyl 5-[(E)-2-(6-methoxy-3-pyridyl)vinyl]isoxazole-3-carboxylate
CID 44480188
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39501724
3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 39501951
3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide
CID 39502122
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 45816304
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 45819862
3-[(2-Cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 45831357
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 45833933
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 51084358
2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 51084609

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 97159383) is 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CCUGNFXCCMKDRT-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[(3S)-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-[[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97159383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).