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

C17H19N3O2S — CID 2378629

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O
InChIInChI=1S/C17H19N3O2S/c1-4-9-20-16(21)13-7-5-6-8-15(13)18-17(20)23-10-14-11(2)19-22-12(14)3/h5-8H,4,9-10H2,1-3H3
InChIKeyDLPZAHAOCSPSQX-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.70
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one (PubChem CID 2378629) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
PubChem CID2378629
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O
InChIInChI=1S/C17H19N3O2S/c1-4-9-20-16(21)13-7-5-6-8-15(13)18-17(20)23-10-14-11(2)19-22-12(14)3/h5-8H,4,9-10H2,1-3H3
InChIKeyDLPZAHAOCSPSQX-UHFFFAOYSA-N
XLogP3.70
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.70
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-propylquinazolin-4-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one (CID 2378629) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one is CCCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
The InChIKey is DLPZAHAOCSPSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-4-9-20-16(21)13-7-5-6-8-15(13)18-17(20)23-10-14-11(2)19-22-12(14)3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one has a molecular weight of 329.43 g/mol, XLogP of 3.70, 5 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-propylquinazolin-4-one is sourced from PubChem (CID 2378629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).