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

C21H26N4O — CID 136766129

IUPAC5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCCc1ccc(CN2CCCCC2c2[nH]ncc2-c2cc(C)no2)cc1
InChIInChI=1S/C21H26N4O/c1-3-16-7-9-17(10-8-16)14-25-11-5-4-6-19(25)21-18(13-22-23-21)20-12-15(2)24-26-20/h7-10,12-13,19H,3-6,11,14H2,1-2H3,(H,22,23)
InChIKeyIPFPYMLCZPQCPM-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.66
Rot. Bonds5

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

5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole (PubChem CID 136766129) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
PubChem CID136766129
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCCc1ccc(CN2CCCCC2c2[nH]ncc2-c2cc(C)no2)cc1
InChIInChI=1S/C21H26N4O/c1-3-16-7-9-17(10-8-16)14-25-11-5-4-6-19(25)21-18(13-22-23-21)20-12-15(2)24-26-20/h7-10,12-13,19H,3-6,11,14H2,1-2H3,(H,22,23)
InChIKeyIPFPYMLCZPQCPM-UHFFFAOYSA-N
XLogP4.66
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole (CID 136766129) is 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole is CCc1ccc(CN2CCCCC2c2[nH]ncc2-c2cc(C)no2)cc1.
What is the InChIKey of 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is IPFPYMLCZPQCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-16-7-9-17(10-8-16)14-25-11-5-4-6-19(25)21-18(13-22-23-21)20-12-15(2)24-26-20/h7-10,12-13,19H,3-6,11,14H2,1-2H3,(H,22,23).
What are the key properties of 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 350.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(4-ethylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 136766129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).