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

C19H15N3OS — CID 24656798

IUPAC4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nc(Sc2nc(-c3ccccc3)nc3ccccc23)oc1C
InChIInChI=1S/C19H15N3OS/c1-12-13(2)23-19(20-12)24-18-15-10-6-7-11-16(15)21-17(22-18)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyRDENUXQRTGQCFF-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.05
Rot. Bonds3

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

4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 24656798) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole
PubChem CID24656798
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nc(Sc2nc(-c3ccccc3)nc3ccccc23)oc1C
InChIInChI=1S/C19H15N3OS/c1-12-13(2)23-19(20-12)24-18-15-10-6-7-11-16(15)21-17(22-18)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyRDENUXQRTGQCFF-UHFFFAOYSA-N
XLogP5.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole (CID 24656798) is 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole is Cc1nc(Sc2nc(-c3ccccc3)nc3ccccc23)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is RDENUXQRTGQCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-13(2)23-19(20-12)24-18-15-10-6-7-11-16(15)21-17(22-18)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole?
4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 333.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 24656798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).