5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole

C12H17FN2O — CID 171326449

IUPAC5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESFCC1CCN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C12H17FN2O/c13-6-9-3-4-15(7-9)8-11-5-12(16-14-11)10-1-2-10/h5,9-10H,1-4,6-8H2
InChIKeyCZIKMYAVKGOBPS-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.34
Rot. Bonds4

About 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole

5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 171326449) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID171326449
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESFCC1CCN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C12H17FN2O/c13-6-9-3-4-15(7-9)8-11-5-12(16-14-11)10-1-2-10/h5,9-10H,1-4,6-8H2
InChIKeyCZIKMYAVKGOBPS-UHFFFAOYSA-N
XLogP2.34
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
CID 171999260
5-cyclopropyl-3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,2-oxazole
CID 171994431
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 163350927
2-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]propan-2-ol
CID 172890964
5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 126947443
2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol
CID 91835722
3-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943646
2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 172891185
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 172891311

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 171326449) is 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole is FCC1CCN(Cc2cc(C3CC3)on2)C1.
What is the InChIKey of 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CZIKMYAVKGOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-6-9-3-4-15(7-9)8-11-5-12(16-14-11)10-1-2-10/h5,9-10H,1-4,6-8H2.
What are the key properties of 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 224.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 171326449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).