N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C16H22N4O3S — CID 118786054

IUPACN-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)no1
InChIInChI=1S/C16H22N4O3S/c1-10(2)15-5-13(19-23-15)16(22)18-12-3-4-20(7-14(12)21)6-11-8-24-9-17-11/h5,8-10,12,14,21H,3-4,6-7H2,1-2H3,(H,18,22)/t12-,14-/m1/s1
InChIKeyDKSIVQDJYCCWMI-TZMCWYRMSA-N
MW350.44 g/mol
LogP1.62
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 118786054) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID118786054
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)no1
InChIInChI=1S/C16H22N4O3S/c1-10(2)15-5-13(19-23-15)16(22)18-12-3-4-20(7-14(12)21)6-11-8-24-9-17-11/h5,8-10,12,14,21H,3-4,6-7H2,1-2H3,(H,18,22)/t12-,14-/m1/s1
InChIKeyDKSIVQDJYCCWMI-TZMCWYRMSA-N
XLogP1.62
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 121498184
2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide
CID 118772325
5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 102602829
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115925247
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-[(3S,4S)-1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 164633980
2-amino-N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidine-4-carboxamide
CID 164639029
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118790819
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 118786159
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 118786054) is N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)no1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DKSIVQDJYCCWMI-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10(2)15-5-13(19-23-15)16(22)18-12-3-4-20(7-14(12)21)6-11-8-24-9-17-11/h5,8-10,12,14,21H,3-4,6-7H2,1-2H3,(H,18,22)/t12-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118786054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).