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

C18H28FN3O3 — CID 166600864

IUPACN-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCC(C)c1ocnc1CN1CCC(F)(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H28FN3O3/c1-13(2)16-15(21-12-25-16)9-22-6-4-18(19,5-7-22)11-20-17(23)14-3-8-24-10-14/h12-14H,3-11H2,1-2H3,(H,20,23)
InChIKeyISKCGHKOJVBWCN-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.25
Rot. Bonds6

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

N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166600864) has the molecular formula C18H28FN3O3 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166600864
Molecular FormulaC18H28FN3O3
Molecular Weight353.44 g/mol
Exact Mass353.21
IUPAC NameN-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCC(C)c1ocnc1CN1CCC(F)(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H28FN3O3/c1-13(2)16-15(21-12-25-16)9-22-6-4-18(19,5-7-22)11-20-17(23)14-3-8-24-10-14/h12-14H,3-11H2,1-2H3,(H,20,23)
InChIKeyISKCGHKOJVBWCN-UHFFFAOYSA-N
XLogP2.25
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 166600649
N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600641
N-[[4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600643
N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432283
N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166601390
N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166601069
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432188
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600992
cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 171324101
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025

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]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166600864) is N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is CC(C)c1ocnc1CN1CCC(F)(CNC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is ISKCGHKOJVBWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3/c1-13(2)16-15(21-12-25-16)9-22-6-4-18(19,5-7-22)11-20-17(23)14-3-8-24-10-14/h12-14H,3-11H2,1-2H3,(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]oxolane-3-carboxamide?
N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]oxolane-3-carboxamide is sourced from PubChem (CID 166600864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).