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

C23H28N4O3 — CID 124957976

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(OC)c3)o2)c1C
InChIInChI=1S/C23H28N4O3/c1-4-19-15(2)21(26-25-19)23(28)27-11-6-5-10-20(27)22-24-14-18(30-22)13-16-8-7-9-17(12-16)29-3/h7-9,12,14,20H,4-6,10-11,13H2,1-3H3,(H,25,26)/t20-/m1/s1
InChIKeyGCVSVZREMNRQJR-HXUWFJFHSA-N
MW408.50 g/mol
LogP4.24
Rot. Bonds6

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

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124957976) 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)-[(2R)-2-[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)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID124957976
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(OC)c3)o2)c1C
InChIInChI=1S/C23H28N4O3/c1-4-19-15(2)21(26-25-19)23(28)27-11-6-5-10-20(27)22-24-14-18(30-22)13-16-8-7-9-17(12-16)29-3/h7-9,12,14,20H,4-6,10-11,13H2,1-3H3,(H,25,26)/t20-/m1/s1
InChIKeyGCVSVZREMNRQJR-HXUWFJFHSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 110120782
[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 132780071
4-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 110121169
2-ethoxy-1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125006300
2-(3-methoxyphenyl)-1-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125022669
[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999070
[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999069
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779716
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779752
(5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125021984
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenyl)methyl]-3-pyridinyl]methanone
CID 129454739

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[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)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124957976) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[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)-[(2R)-2-[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)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(OC)c3)o2)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is GCVSVZREMNRQJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-19-15(2)21(26-25-19)23(28)27-11-6-5-10-20(27)22-24-14-18(30-22)13-16-8-7-9-17(12-16)29-3/h7-9,12,14,20H,4-6,10-11,13H2,1-3H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 4.24, 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)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124957976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).