4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole

C18H14N4OS — CID 24621024

IUPAC4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nc(Sc2nc(-c3cccnc3)nc3ccccc23)oc1C
InChIInChI=1S/C18H14N4OS/c1-11-12(2)23-18(20-11)24-17-14-7-3-4-8-15(14)21-16(22-17)13-6-5-9-19-10-13/h3-10H,1-2H3
InChIKeyJSPVCADSJAZZGF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.45
Rot. Bonds3

About 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole

4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 24621024) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole
PubChem CID24621024
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nc(Sc2nc(-c3cccnc3)nc3ccccc23)oc1C
InChIInChI=1S/C18H14N4OS/c1-11-12(2)23-18(20-11)24-17-14-7-3-4-8-15(14)21-16(22-17)13-6-5-9-19-10-13/h3-10H,1-2H3
InChIKeyJSPVCADSJAZZGF-UHFFFAOYSA-N
XLogP4.45
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole (CID 24621024) is 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole is Cc1nc(Sc2nc(-c3cccnc3)nc3ccccc23)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is JSPVCADSJAZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-12(2)23-18(20-11)24-17-14-7-3-4-8-15(14)21-16(22-17)13-6-5-9-19-10-13/h3-10H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole?
4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 334.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 24621024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).