N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C18H30FN3O2 — CID 166600649

IUPACN-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)c1ocnc1CN1CCC(F)(CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H30FN3O2/c1-13(2)15-14(21-12-24-15)10-22-8-6-18(19,7-9-22)11-20-16(23)17(3,4)5/h12-13H,6-11H2,1-5H3,(H,20,23)
InChIKeyBAXWUSDKJUZLQO-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.26
Rot. Bonds5

About N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 166600649) has the molecular formula C18H30FN3O2 and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID166600649
Molecular FormulaC18H30FN3O2
Molecular Weight339.46 g/mol
Exact Mass339.23
IUPAC NameN-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)c1ocnc1CN1CCC(F)(CNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H30FN3O2/c1-13(2)15-14(21-12-24-15)10-22-8-6-18(19,7-9-22)11-20-16(23)17(3,4)5/h12-13H,6-11H2,1-5H3,(H,20,23)
InChIKeyBAXWUSDKJUZLQO-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 166600649) is N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)c1ocnc1CN1CCC(F)(CNC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is BAXWUSDKJUZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O2/c1-13(2)15-14(21-12-24-15)10-22-8-6-18(19,7-9-22)11-20-16(23)17(3,4)5/h12-13H,6-11H2,1-5H3,(H,20,23).
What are the key properties of N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 166600649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).