(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C23H28N4O3 — CID 124988376

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(OC)c4)o3)C2)c1C
InChIInChI=1S/C23H28N4O3/c1-4-20-15(2)21(26-25-20)23(28)27-10-6-8-17(14-27)22-24-13-19(30-22)12-16-7-5-9-18(11-16)29-3/h5,7,9,11,13,17H,4,6,8,10,12,14H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyOMMMXTSZTNLOBK-QGZVFWFLSA-N
MW408.50 g/mol
LogP3.89
Rot. Bonds6

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124988376) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID124988376
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(OC)c4)o3)C2)c1C
InChIInChI=1S/C23H28N4O3/c1-4-20-15(2)21(26-25-20)23(28)27-10-6-8-17(14-27)22-24-13-19(30-22)12-16-7-5-9-18(11-16)29-3/h5,7,9,11,13,17H,4,6,8,10,12,14H2,1-3H3,(H,25,26)/t17-/m1/s1
InChIKeyOMMMXTSZTNLOBK-QGZVFWFLSA-N
XLogP3.89
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 124948971
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124957976
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 110119583
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125006423
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124995619
[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124949968
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124950186
[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110099337
2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119432
[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110120019
(5-butyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124952028
2-(4-fluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124960666

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124988376) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(OC)c4)o3)C2)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is OMMMXTSZTNLOBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-20-15(2)21(26-25-20)23(28)27-10-6-8-17(14-27)22-24-13-19(30-22)12-16-7-5-9-18(11-16)29-3/h5,7,9,11,13,17H,4,6,8,10,12,14H2,1-3H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124988376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).