N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide

C16H22N6O3 — CID 136541575

IUPACN-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCC(n3ccc(C(=O)NC)n3)C2)no1
InChIInChI=1S/C16H22N6O3/c1-3-12-9-14(20-25-12)18-16(24)21-7-4-5-11(10-21)22-8-6-13(19-22)15(23)17-2/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,23)(H,18,20,24)
InChIKeyPDFBNCQSHLLOBZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.66
Rot. Bonds4

About N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 136541575) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID136541575
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCC(n3ccc(C(=O)NC)n3)C2)no1
InChIInChI=1S/C16H22N6O3/c1-3-12-9-14(20-25-12)18-16(24)21-7-4-5-11(10-21)22-8-6-13(19-22)15(23)17-2/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,23)(H,18,20,24)
InChIKeyPDFBNCQSHLLOBZ-UHFFFAOYSA-N
XLogP1.66
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
N-methyl-1-[(3R)-1-(4-nitrobenzoyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 100623858
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129473969
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
N-methyl-1-[1-[5-(1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 126810435
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129332274
N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129344407
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 136541575) is N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide is CCc1cc(NC(=O)N2CCCC(n3ccc(C(=O)NC)n3)C2)no1.
What is the InChIKey of N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is PDFBNCQSHLLOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-3-12-9-14(20-25-12)18-16(24)21-7-4-5-11(10-21)22-8-6-13(19-22)15(23)17-2/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,17,23)(H,18,20,24).
What are the key properties of N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 136541575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).