5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C18H22N4OS — CID 92503026

IUPAC5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1cn[nH]c1-c1cccs1
InChIInChI=1S/C18H22N4OS/c1-3-15-17(12(2)21-23-15)14-6-4-8-22(14)11-13-10-19-20-18(13)16-7-5-9-24-16/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUJKRTLUMVZTKSB-AWEZNQCLSA-N
MW342.47 g/mol
LogP4.33
Rot. Bonds5

About 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 92503026) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID92503026
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1cn[nH]c1-c1cccs1
InChIInChI=1S/C18H22N4OS/c1-3-15-17(12(2)21-23-15)14-6-4-8-22(14)11-13-10-19-20-18(13)16-7-5-9-24-16/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUJKRTLUMVZTKSB-AWEZNQCLSA-N
XLogP4.33
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809588
4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 92732718
2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125020229
4-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808835
4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808958
4-[(2S)-1-[[5-(3-bromophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732194
5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732606
5-ethyl-4-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50808983
4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809425
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239
1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylazepane
CID 46366465
2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844600

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 92503026) is 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is CCc1onc(C)c1[C@@H]1CCCN1Cc1cn[nH]c1-c1cccs1.
What is the InChIKey of 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is UJKRTLUMVZTKSB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-3-15-17(12(2)21-23-15)14-6-4-8-22(14)11-13-10-19-20-18(13)16-7-5-9-24-16/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 342.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 92503026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).