N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide

C16H19FN4O3 — CID 124944187

IUPACN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccon1
InChIInChI=1S/C16H19FN4O3/c1-20(15(22)13-5-8-24-19-13)10-16(23)6-2-7-21(11-16)14-4-3-12(17)9-18-14/h3-5,8-9,23H,2,6-7,10-11H2,1H3/t16-/m0/s1
InChIKeyBHYIALPVOKTXDN-INIZCTEOSA-N
MW334.35 g/mol
LogP1.31
Rot. Bonds4

About N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide

N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 124944187) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID124944187
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccon1
InChIInChI=1S/C16H19FN4O3/c1-20(15(22)13-5-8-24-19-13)10-16(23)6-2-7-21(11-16)14-4-3-12(17)9-18-14/h3-5,8-9,23H,2,6-7,10-11H2,1H3/t16-/m0/s1
InChIKeyBHYIALPVOKTXDN-INIZCTEOSA-N
XLogP1.31
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124972905
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124940619
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 110124139
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 124998973
3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
CID 124950829
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 124944187) is N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide is CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccon1.
What is the InChIKey of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BHYIALPVOKTXDN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-20(15(22)13-5-8-24-19-13)10-16(23)6-2-7-21(11-16)14-4-3-12(17)9-18-14/h3-5,8-9,23H,2,6-7,10-11H2,1H3/t16-/m0/s1.
What are the key properties of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124944187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).