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

C21H26N4O — CID 53009625

IUPAC3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1ccc(-c2[nH]ncc2CN2CCCC2c2cc(CC)no2)cc1
InChIInChI=1S/C21H26N4O/c1-3-15-7-9-16(10-8-15)21-17(13-22-23-21)14-25-11-5-6-19(25)20-12-18(4-2)24-26-20/h7-10,12-13,19H,3-6,11,14H2,1-2H3,(H,22,23)
InChIKeyXCTPFPLBWKEAIR-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.53
Rot. Bonds6

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

3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 53009625) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID53009625
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1ccc(-c2[nH]ncc2CN2CCCC2c2cc(CC)no2)cc1
InChIInChI=1S/C21H26N4O/c1-3-15-7-9-16(10-8-15)21-17(13-22-23-21)14-25-11-5-6-19(25)20-12-18(4-2)24-26-20/h7-10,12-13,19H,3-6,11,14H2,1-2H3,(H,22,23)
InChIKeyXCTPFPLBWKEAIR-UHFFFAOYSA-N
XLogP4.53
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-1-isoxazol-3-yl-N-methylethanamine
CID 16190863
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-1-isoxazol-3-yl-N-methylethanamine
CID 16191348
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-(isoxazol-3-ylmethyl)-N-methylmethanamine
CID 16192264
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 46995086
5-Ethyl-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3-methyl-1,2-oxazole
CID 50808666
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}-2-pyrrolidinyl)-5-methylisoxazole
CID 50809586
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-5-(propan-2-YL)-1,2-oxazole
CID 50809603
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-5-propyl-1,2-oxazole
CID 50809604
4-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3,5-dimethyl-1,2-oxazole
CID 50809620
3-phenyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 51104399
5-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3-(propan-2-YL)-1,2-oxazole
CID 53035022
N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 53009625) is 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole is CCc1ccc(-c2[nH]ncc2CN2CCCC2c2cc(CC)no2)cc1.
What is the InChIKey of 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is XCTPFPLBWKEAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-15-7-9-16(10-8-15)21-17(13-22-23-21)14-25-11-5-6-19(25)20-12-18(4-2)24-26-20/h7-10,12-13,19H,3-6,11,14H2,1-2H3,(H,22,23).
What are the key properties of 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 350.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 53009625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).