3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one

C15H15FN4O2 — CID 31532394

IUPAC3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one
SMILESCC(C)(C)c1noc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C15H15FN4O2/c1-15(2,3)14-18-12(22-19-14)7-20-8-17-11-6-9(16)4-5-10(11)13(20)21/h4-6,8H,7H2,1-3H3
InChIKeyJSTUYGAYWRGZLV-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.26
Rot. Bonds2

About 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one

3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one (PubChem CID 31532394) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one
PubChem CID31532394
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one
SMILESCC(C)(C)c1noc(Cn2cnc3cc(F)ccc3c2=O)n1
InChIInChI=1S/C15H15FN4O2/c1-15(2,3)14-18-12(22-19-14)7-20-8-17-11-6-9(16)4-5-10(11)13(20)21/h4-6,8H,7H2,1-3H3
InChIKeyJSTUYGAYWRGZLV-UHFFFAOYSA-N
XLogP2.26
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one (CID 31532394) is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one is CC(C)(C)c1noc(Cn2cnc3cc(F)ccc3c2=O)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one?
The InChIKey is JSTUYGAYWRGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-15(2,3)14-18-12(22-19-14)7-20-8-17-11-6-9(16)4-5-10(11)13(20)21/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one?
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one has a molecular weight of 302.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 31532394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).