2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one

C15H15N3O2S — CID 2574187

IUPAC2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2ccon2)nc2ccccc2c1=O
InChIInChI=1S/C15H15N3O2S/c1-2-8-18-14(19)12-5-3-4-6-13(12)16-15(18)21-10-11-7-9-20-17-11/h3-7,9H,2,8,10H2,1H3
InChIKeyXRVNOZTVSGZSLO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.09
Rot. Bonds5

About 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one

2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one (PubChem CID 2574187) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one
PubChem CID2574187
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2ccon2)nc2ccccc2c1=O
InChIInChI=1S/C15H15N3O2S/c1-2-8-18-14(19)12-5-3-4-6-13(12)16-15(18)21-10-11-7-9-20-17-11/h3-7,9H,2,8,10H2,1H3
InChIKeyXRVNOZTVSGZSLO-UHFFFAOYSA-N
XLogP3.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one (CID 2574187) is 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one is CCCn1c(SCc2ccon2)nc2ccccc2c1=O.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one?
The InChIKey is XRVNOZTVSGZSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-8-18-14(19)12-5-3-4-6-13(12)16-15(18)21-10-11-7-9-20-17-11/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one?
2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one has a molecular weight of 301.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylsulfanyl)-3-propylquinazolin-4-one is sourced from PubChem (CID 2574187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).