3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one

C16H17N3O4S — CID 71916284

IUPAC3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one
SMILESCc1noc(C)c1CS(=O)(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H17N3O4S/c1-11-14(12(2)23-18-11)9-24(21,22)8-7-19-10-17-15-6-4-3-5-13(15)16(19)20/h3-6,10H,7-9H2,1-2H3
InChIKeyAHLKXHVGDLCKGW-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.62
Rot. Bonds5

About 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one

3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one (PubChem CID 71916284) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one
PubChem CID71916284
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one
SMILESCc1noc(C)c1CS(=O)(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H17N3O4S/c1-11-14(12(2)23-18-11)9-24(21,22)8-7-19-10-17-15-6-4-3-5-13(15)16(19)20/h3-6,10H,7-9H2,1-2H3
InChIKeyAHLKXHVGDLCKGW-UHFFFAOYSA-N
XLogP1.62
TPSA95.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one (CID 71916284) is 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one is Cc1noc(C)c1CS(=O)(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one?
The InChIKey is AHLKXHVGDLCKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11-14(12(2)23-18-11)9-24(21,22)8-7-19-10-17-15-6-4-3-5-13(15)16(19)20/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one?
3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one has a molecular weight of 347.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethyl]quinazolin-4-one is sourced from PubChem (CID 71916284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).