3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

C12H10N4O2 — CID 31048059

IUPAC3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1noc(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C12H10N4O2/c1-8-14-11(18-15-8)6-16-7-13-10-5-3-2-4-9(10)12(16)17/h2-5,7H,6H2,1H3
InChIKeyJFZJKYXWAJHXQD-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.14
Rot. Bonds2

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

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 31048059) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID31048059
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1noc(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C12H10N4O2/c1-8-14-11(18-15-8)6-16-7-13-10-5-3-2-4-9(10)12(16)17/h2-5,7H,6H2,1H3
InChIKeyJFZJKYXWAJHXQD-UHFFFAOYSA-N
XLogP1.14
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2960627
2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16022719
N-(2,4-Difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-YL)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}acetamide
CID 16022727
7-Fluoro-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17509149
3-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17511505
3-Propan-2-yl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 24241290
6-Chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 27271213
1-((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-isopropylquinazoline-2,4(1H,3H)-dione
CID 30850222
8-Methyl-3-[2-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 32141858
6-Chloro-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 36312255
N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 47409578
(3-Hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
CID 51088519

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 31048059) is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is Cc1noc(Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is JFZJKYXWAJHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-8-14-11(18-15-8)6-16-7-13-10-5-3-2-4-9(10)12(16)17/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 242.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 31048059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).