1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol

C17H19F3N2O2 — CID 166265535

IUPAC1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol
SMILESCC1(O)CCCC1NCc1coc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H19F3N2O2/c1-16(23)8-4-7-14(16)21-9-11-10-24-15(22-11)12-5-2-3-6-13(12)17(18,19)20/h2-3,5-6,10,14,21,23H,4,7-9H2,1H3
InChIKeyMKDWOQLRWKCVDO-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.75
Rot. Bonds4

About 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol

1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol (PubChem CID 166265535) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol
PubChem CID166265535
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol
SMILESCC1(O)CCCC1NCc1coc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H19F3N2O2/c1-16(23)8-4-7-14(16)21-9-11-10-24-15(22-11)12-5-2-3-6-13(12)17(18,19)20/h2-3,5-6,10,14,21,23H,4,7-9H2,1H3
InChIKeyMKDWOQLRWKCVDO-UHFFFAOYSA-N
XLogP3.75
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol?
The IUPAC name of 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol (CID 166265535) is 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol?
The canonical SMILES for 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol is CC1(O)CCCC1NCc1coc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol?
The InChIKey is MKDWOQLRWKCVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-16(23)8-4-7-14(16)21-9-11-10-24-15(22-11)12-5-2-3-6-13(12)17(18,19)20/h2-3,5-6,10,14,21,23H,4,7-9H2,1H3.
What are the key properties of 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol?
1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol has a molecular weight of 340.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 166265535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).