2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one

C20H17N3O2S — CID 2373306

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one
SMILESCc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-13-17(14(2)25-22-13)12-26-20-21-18-11-7-6-10-16(18)19(24)23(20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyNVNUSCJXNKOLAV-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.28
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one (PubChem CID 2373306) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one
PubChem CID2373306
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one
SMILESCc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-13-17(14(2)25-22-13)12-26-20-21-18-11-7-6-10-16(18)19(24)23(20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyNVNUSCJXNKOLAV-UHFFFAOYSA-N
XLogP4.28
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one (CID 2373306) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one is Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one?
The InChIKey is NVNUSCJXNKOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-17(14(2)25-22-13)12-26-20-21-18-11-7-6-10-16(18)19(24)23(20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one has a molecular weight of 363.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 2373306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).