1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid

C19H20N4O3 — CID 3235557

IUPAC1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2ncnc(N3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C19H20N4O3/c1-11-17(12(2)26-22-11)14-3-4-16-15(9-14)18(21-10-20-16)23-7-5-13(6-8-23)19(24)25/h3-4,9-10,13H,5-8H2,1-2H3,(H,24,25)
InChIKeyFFKIBFKOWOZEJJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.20
Rot. Bonds3

About 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid

1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid (PubChem CID 3235557) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid
PubChem CID3235557
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2ncnc(N3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C19H20N4O3/c1-11-17(12(2)26-22-11)14-3-4-16-15(9-14)18(21-10-20-16)23-7-5-13(6-8-23)19(24)25/h3-4,9-10,13H,5-8H2,1-2H3,(H,24,25)
InChIKeyFFKIBFKOWOZEJJ-UHFFFAOYSA-N
XLogP3.20
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid (CID 3235557) is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid is Cc1noc(C)c1-c1ccc2ncnc(N3CCC(C(=O)O)CC3)c2c1.
What is the InChIKey of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is FFKIBFKOWOZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-17(12(2)26-22-11)14-3-4-16-15(9-14)18(21-10-20-16)23-7-5-13(6-8-23)19(24)25/h3-4,9-10,13H,5-8H2,1-2H3,(H,24,25).
What are the key properties of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid?
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3235557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).