N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide

C16H20N4O3 — CID 125011518

IUPACN-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)co1
InChIInChI=1S/C16H20N4O3/c1-12-19-13(9-23-12)15(21)18-10-16(22)6-4-8-20(11-16)14-5-2-3-7-17-14/h2-3,5,7,9,22H,4,6,8,10-11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyVQPHVXJOZJNPGB-INIZCTEOSA-N
MW316.36 g/mol
LogP1.14
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 125011518) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID125011518
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)co1
InChIInChI=1S/C16H20N4O3/c1-12-19-13(9-23-12)15(21)18-10-16(22)6-4-8-20(11-16)14-5-2-3-7-17-14/h2-3,5,7,9,22H,4,6,8,10-11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyVQPHVXJOZJNPGB-INIZCTEOSA-N
XLogP1.14
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 124964330
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 110124043
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 125017362
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 155989763
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 124956556
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 125011518) is N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)co1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VQPHVXJOZJNPGB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-12-19-13(9-23-12)15(21)18-10-16(22)6-4-8-20(11-16)14-5-2-3-7-17-14/h2-3,5,7,9,22H,4,6,8,10-11H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 125011518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).