N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C16H24FN3O3 — CID 166600641

IUPACN-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1nc(CN2CCC(F)(CNC(=O)C3CCOC3)CC2)co1
InChIInChI=1S/C16H24FN3O3/c1-12-19-14(10-23-12)8-20-5-3-16(17,4-6-20)11-18-15(21)13-2-7-22-9-13/h10,13H,2-9,11H2,1H3,(H,18,21)
InChIKeyVWOAZWQZWDIDII-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.44
Rot. Bonds5

About N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166600641) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166600641
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC NameN-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1nc(CN2CCC(F)(CNC(=O)C3CCOC3)CC2)co1
InChIInChI=1S/C16H24FN3O3/c1-12-19-14(10-23-12)8-20-5-3-16(17,4-6-20)11-18-15(21)13-2-7-22-9-13/h10,13H,2-9,11H2,1H3,(H,18,21)
InChIKeyVWOAZWQZWDIDII-UHFFFAOYSA-N
XLogP1.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166600641) is N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is Cc1nc(CN2CCC(F)(CNC(=O)C3CCOC3)CC2)co1.
What is the InChIKey of N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is VWOAZWQZWDIDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-12-19-14(10-23-12)8-20-5-3-16(17,4-6-20)11-18-15(21)13-2-7-22-9-13/h10,13H,2-9,11H2,1H3,(H,18,21).
What are the key properties of N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166600641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).