5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride

C16H28Cl2N4O3 — CID 154892316

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC[C@@H]1CCCN1)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C16H26N4O3.2ClH/c21-13-4-8-20(9-5-13)11-14-10-15(19-23-14)16(22)18-7-3-12-2-1-6-17-12;;/h10,12-13,17,21H,1-9,11H2,(H,18,22);2*1H/t12-;;/m0../s1
InChIKeyTWRSOSOXUIWJHK-LTCKWSDVSA-N
MW395.33 g/mol
LogP1.35
Rot. Bonds6

About 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride (PubChem CID 154892316) has the molecular formula C16H28Cl2N4O3 and a molecular weight of 395.33 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride
PubChem CID154892316
Molecular FormulaC16H28Cl2N4O3
Molecular Weight395.33 g/mol
Exact Mass394.15
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC[C@@H]1CCCN1)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C16H26N4O3.2ClH/c21-13-4-8-20(9-5-13)11-14-10-15(19-23-14)16(22)18-7-3-12-2-1-6-17-12;;/h10,12-13,17,21H,1-9,11H2,(H,18,22);2*1H/t12-;;/m0../s1
InChIKeyTWRSOSOXUIWJHK-LTCKWSDVSA-N
XLogP1.35
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
5-[(4-hydroxypiperidin-1-yl)methyl]-N-(quinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56721841
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56711559
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 104971777
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56709677
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56705166

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride (CID 154892316) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC[C@@H]1CCCN1)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride?
The InChIKey is TWRSOSOXUIWJHK-LTCKWSDVSA-N. The full InChI is InChI=1S/C16H26N4O3.2ClH/c21-13-4-8-20(9-5-13)11-14-10-15(19-23-14)16(22)18-7-3-12-2-1-6-17-12;;/h10,12-13,17,21H,1-9,11H2,(H,18,22);2*1H/t12-;;/m0../s1.
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride?
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154892316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).