2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole

C19H21N3O — CID 139466465

IUPAC2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole
SMILESCc1nc(N2CCC(c3ccnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C19H21N3O/c1-13-19(21-14(2)23-13)22-11-8-15(9-12-22)16-7-10-20-18-6-4-3-5-17(16)18/h3-7,10,15H,8-9,11-12H2,1-2H3
InChIKeyHHKUZSVXOLFPRP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.22
Rot. Bonds2

About 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole

2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole (PubChem CID 139466465) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole
PubChem CID139466465
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole
SMILESCc1nc(N2CCC(c3ccnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C19H21N3O/c1-13-19(21-14(2)23-13)22-11-8-15(9-12-22)16-7-10-20-18-6-4-3-5-17(16)18/h3-7,10,15H,8-9,11-12H2,1-2H3
InChIKeyHHKUZSVXOLFPRP-UHFFFAOYSA-N
XLogP4.22
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole (CID 139466465) is 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole is Cc1nc(N2CCC(c3ccnc4ccccc34)CC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is HHKUZSVXOLFPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-19(21-14(2)23-13)22-11-8-15(9-12-22)16-7-10-20-18-6-4-3-5-17(16)18/h3-7,10,15H,8-9,11-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole?
2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 307.40 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-quinolin-4-ylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 139466465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).