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

C20H24N4O — CID 136766126

IUPAC3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cccc(CN2CCCCC2c2[nH]ncc2-c2cc(C)no2)c1
InChIInChI=1S/C20H24N4O/c1-14-6-5-7-16(10-14)13-24-9-4-3-8-18(24)20-17(12-21-22-20)19-11-15(2)23-25-19/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,21,22)
InChIKeyOJSDGMNTAJGXCV-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.41
Rot. Bonds4

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

3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 136766126) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID136766126
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cccc(CN2CCCCC2c2[nH]ncc2-c2cc(C)no2)c1
InChIInChI=1S/C20H24N4O/c1-14-6-5-7-16(10-14)13-24-9-4-3-8-18(24)20-17(12-21-22-20)19-11-15(2)23-25-19/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,21,22)
InChIKeyOJSDGMNTAJGXCV-UHFFFAOYSA-N
XLogP4.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 136766126) is 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole is Cc1cccc(CN2CCCCC2c2[nH]ncc2-c2cc(C)no2)c1.
What is the InChIKey of 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is OJSDGMNTAJGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-6-5-7-16(10-14)13-24-9-4-3-8-18(24)20-17(12-21-22-20)19-11-15(2)23-25-19/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 336.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 136766126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).