1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone

C26H24N6O2 — CID 166329203

IUPAC1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone
SMILESO=C(c1cnco1)N1CC23CCCC2(C1)CN(c1nc(-c2cccnc2)nc2ccccc12)C3
InChIInChI=1S/C26H24N6O2/c33-24(21-12-28-17-34-21)32-15-25-8-4-9-26(25,16-32)14-31(13-25)23-19-6-1-2-7-20(19)29-22(30-23)18-5-3-10-27-11-18/h1-3,5-7,10-12,17H,4,8-9,13-16H2
InChIKeyJBTHEAZXKVGIFL-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.81
Rot. Bonds3

About 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone

1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone (PubChem CID 166329203) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone
PubChem CID166329203
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone
SMILESO=C(c1cnco1)N1CC23CCCC2(C1)CN(c1nc(-c2cccnc2)nc2ccccc12)C3
InChIInChI=1S/C26H24N6O2/c33-24(21-12-28-17-34-21)32-15-25-8-4-9-26(25,16-32)14-31(13-25)23-19-6-1-2-7-20(19)29-22(30-23)18-5-3-10-27-11-18/h1-3,5-7,10-12,17H,4,8-9,13-16H2
InChIKeyJBTHEAZXKVGIFL-UHFFFAOYSA-N
XLogP3.81
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone?
The IUPAC name of 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone (CID 166329203) is 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone.
What is the SMILES notation for 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone?
The canonical SMILES for 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone is O=C(c1cnco1)N1CC23CCCC2(C1)CN(c1nc(-c2cccnc2)nc2ccccc12)C3.
What is the InChIKey of 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone?
The InChIKey is JBTHEAZXKVGIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c33-24(21-12-28-17-34-21)32-15-25-8-4-9-26(25,16-32)14-31(13-25)23-19-6-1-2-7-20(19)29-22(30-23)18-5-3-10-27-11-18/h1-3,5-7,10-12,17H,4,8-9,13-16H2.
What are the key properties of 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone?
1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone has a molecular weight of 452.52 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone is sourced from PubChem (CID 166329203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).