1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone

C22H22N6O2S — CID 162118784

IUPAC1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)c4coc(C5CCN(C)CC5)n4)nc3c2)s1
InChIInChI=1S/C22H22N6O2S/c1-13-26-27-22(31-13)15-3-4-16-11-23-20(24-17(16)9-15)10-19(29)18-12-30-21(25-18)14-5-7-28(2)8-6-14/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyZHCZPQDRAAJOIQ-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone

1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone (PubChem CID 162118784) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
PubChem CID162118784
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
SMILESCc1nnc(-c2ccc3cnc(CC(=O)c4coc(C5CCN(C)CC5)n4)nc3c2)s1
InChIInChI=1S/C22H22N6O2S/c1-13-26-27-22(31-13)15-3-4-16-11-23-20(24-17(16)9-15)10-19(29)18-12-30-21(25-18)14-5-7-28(2)8-6-14/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyZHCZPQDRAAJOIQ-UHFFFAOYSA-N
XLogP3.68
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone (CID 162118784) is 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone is Cc1nnc(-c2ccc3cnc(CC(=O)c4coc(C5CCN(C)CC5)n4)nc3c2)s1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
The InChIKey is ZHCZPQDRAAJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-13-26-27-22(31-13)15-3-4-16-11-23-20(24-17(16)9-15)10-19(29)18-12-30-21(25-18)14-5-7-28(2)8-6-14/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone?
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone has a molecular weight of 434.53 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone is sourced from PubChem (CID 162118784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).