3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole

C15H19N3O — CID 110135210

IUPAC3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccnc(C2CCNCC2)c1
InChIInChI=1S/C15H19N3O/c1-10-15(11(2)19-18-10)13-5-8-17-14(9-13)12-3-6-16-7-4-12/h5,8-9,12,16H,3-4,6-7H2,1-2H3
InChIKeyVYMJMXJRBXDRLP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.82
Rot. Bonds2

About 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole

3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole (PubChem CID 110135210) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole
PubChem CID110135210
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccnc(C2CCNCC2)c1
InChIInChI=1S/C15H19N3O/c1-10-15(11(2)19-18-10)13-5-8-17-14(9-13)12-3-6-16-7-4-12/h5,8-9,12,16H,3-4,6-7H2,1-2H3
InChIKeyVYMJMXJRBXDRLP-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole (CID 110135210) is 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole is Cc1noc(C)c1-c1ccnc(C2CCNCC2)c1.
What is the InChIKey of 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole?
The InChIKey is VYMJMXJRBXDRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-15(11(2)19-18-10)13-5-8-17-14(9-13)12-3-6-16-7-4-12/h5,8-9,12,16H,3-4,6-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole?
3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole has a molecular weight of 257.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-piperidin-4-yl-4-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 110135210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).