(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

C18H27N5O2 — CID 125141643

IUPAC(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1ccnn1C
InChIInChI=1S/C18H27N5O2/c1-12(17-13(2)21-25-14(17)3)11-19-18(24)23-10-6-5-7-16(23)15-8-9-20-22(15)4/h8-9,12,16H,5-7,10-11H2,1-4H3,(H,19,24)/t12-,16+/m0/s1
InChIKeyUECVFVKAPDCFKL-BLLLJJGKSA-N
MW345.45 g/mol
LogP3.07
Rot. Bonds4

About (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 125141643) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID125141643
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1ccnn1C
InChIInChI=1S/C18H27N5O2/c1-12(17-13(2)21-25-14(17)3)11-19-18(24)23-10-6-5-7-16(23)15-8-9-20-22(15)4/h8-9,12,16H,5-7,10-11H2,1-4H3,(H,19,24)/t12-,16+/m0/s1
InChIKeyUECVFVKAPDCFKL-BLLLJJGKSA-N
XLogP3.07
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
(2R)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 124842237
(2S)-2-(2-methylpyrazol-3-yl)-N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 124842236
(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141251
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124570245
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
CID 126785691
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 99830188
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 125141643) is (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1ccnn1C.
What is the InChIKey of (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is UECVFVKAPDCFKL-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(17-13(2)21-25-14(17)3)11-19-18(24)23-10-6-5-7-16(23)15-8-9-20-22(15)4/h8-9,12,16H,5-7,10-11H2,1-4H3,(H,19,24)/t12-,16+/m0/s1.
What are the key properties of (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125141643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).