N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide

C17H23N5O3 — CID 125420753

IUPACN-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)on1
InChIInChI=1S/C17H23N5O3/c1-11(2)22-8-6-14(19-22)16(23)18-13-5-4-7-21(10-13)17(24)15-9-12(3)20-25-15/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyFQYCJFXEQUNCHX-CYBMUJFWSA-N
MW345.40 g/mol
LogP1.80
Rot. Bonds4

About N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125420753) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125420753
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)on1
InChIInChI=1S/C17H23N5O3/c1-11(2)22-8-6-14(19-22)16(23)18-13-5-4-7-21(10-13)17(24)15-9-12(3)20-25-15/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyFQYCJFXEQUNCHX-CYBMUJFWSA-N
XLogP1.80
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95297567
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 129344923
N-[1-(furan-2-carbonyl)piperidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 91829889
2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 83197337
1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
CID 51092058
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97283595
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
CID 96576211
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide (CID 125420753) is N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)on1.
What is the InChIKey of N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FQYCJFXEQUNCHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)22-8-6-14(19-22)16(23)18-13-5-4-7-21(10-13)17(24)15-9-12(3)20-25-15/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125420753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).