5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole

C20H24N4O — CID 51104291

IUPAC5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CN1CCC(c2ccnn2C)CC1
InChIInChI=1S/C20H24N4O/c1-15-18(22-20(25-15)17-6-4-3-5-7-17)14-24-12-9-16(10-13-24)19-8-11-21-23(19)2/h3-8,11,16H,9-10,12-14H2,1-2H3
InChIKeyLDKJDPPNSMTNDA-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.76
Rot. Bonds4

About 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole

5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 51104291) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID51104291
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CN1CCC(c2ccnn2C)CC1
InChIInChI=1S/C20H24N4O/c1-15-18(22-20(25-15)17-6-4-3-5-7-17)14-24-12-9-16(10-13-24)19-8-11-21-23(19)2/h3-8,11,16H,9-10,12-14H2,1-2H3
InChIKeyLDKJDPPNSMTNDA-UHFFFAOYSA-N
XLogP3.76
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 51104291) is 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CN1CCC(c2ccnn2C)CC1.
What is the InChIKey of 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is LDKJDPPNSMTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-18(22-20(25-15)17-6-4-3-5-7-17)14-24-12-9-16(10-13-24)19-8-11-21-23(19)2/h3-8,11,16H,9-10,12-14H2,1-2H3.
What are the key properties of 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 336.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 51104291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).