5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole

C10H15FN2O — CID 167828536

IUPAC5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCC1(F)CCCN(Cc2ccno2)C1
InChIInChI=1S/C10H15FN2O/c1-10(11)4-2-6-13(8-10)7-9-3-5-12-14-9/h3,5H,2,4,6-8H2,1H3
InChIKeyCCBJPUTZLZLZHP-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.00
Rot. Bonds2

About 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole

5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole (PubChem CID 167828536) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole
PubChem CID167828536
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCC1(F)CCCN(Cc2ccno2)C1
InChIInChI=1S/C10H15FN2O/c1-10(11)4-2-6-13(8-10)7-9-3-5-12-14-9/h3,5H,2,4,6-8H2,1H3
InChIKeyCCBJPUTZLZLZHP-UHFFFAOYSA-N
XLogP2.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986555
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
5-[(2-Ethylthiomorpholin-4-yl)methyl]-1,2-oxazole
CID 132282902
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71986501
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903173
(3R)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903174
(3R)-N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97585840
(3S)-N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97585841
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole (CID 167828536) is 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole is CC1(F)CCCN(Cc2ccno2)C1.
What is the InChIKey of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is CCBJPUTZLZLZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(11)4-2-6-13(8-10)7-9-3-5-12-14-9/h3,5H,2,4,6-8H2,1H3.
What are the key properties of 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole?
5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 198.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 167828536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).