3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

C16H15N3O2S — CID 8981718

IUPAC3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1cc(CSc2nc3ccccc3c(=O)n2C2CC2)no1
InChIInChI=1S/C16H15N3O2S/c1-10-8-11(18-21-10)9-22-16-17-14-5-3-2-4-13(14)15(20)19(16)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3
InChIKeyZJYMVEHQSHSPGY-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.32
Rot. Bonds4

About 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 8981718) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
PubChem CID8981718
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1cc(CSc2nc3ccccc3c(=O)n2C2CC2)no1
InChIInChI=1S/C16H15N3O2S/c1-10-8-11(18-21-10)9-22-16-17-14-5-3-2-4-13(14)15(20)19(16)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3
InChIKeyZJYMVEHQSHSPGY-UHFFFAOYSA-N
XLogP3.32
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one (CID 8981718) is 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one is Cc1cc(CSc2nc3ccccc3c(=O)n2C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is ZJYMVEHQSHSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-8-11(18-21-10)9-22-16-17-14-5-3-2-4-13(14)15(20)19(16)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3.
What are the key properties of 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one?
3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 8981718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).