2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one

C10H6N4O2 — CID 137222903

IUPAC2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ncon2)nc2ccccc12
InChIInChI=1S/C10H6N4O2/c15-10-6-3-1-2-4-7(6)12-9(13-10)8-11-5-16-14-8/h1-5H,(H,12,13,15)
InChIKeyBNIJSOLHZTYQSG-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.97
Rot. Bonds1

About 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one

2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one (PubChem CID 137222903) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one
PubChem CID137222903
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ncon2)nc2ccccc12
InChIInChI=1S/C10H6N4O2/c15-10-6-3-1-2-4-7(6)12-9(13-10)8-11-5-16-14-8/h1-5H,(H,12,13,15)
InChIKeyBNIJSOLHZTYQSG-UHFFFAOYSA-N
XLogP0.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one (CID 137222903) is 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ncon2)nc2ccccc12.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one?
The InChIKey is BNIJSOLHZTYQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c15-10-6-3-1-2-4-7(6)12-9(13-10)8-11-5-16-14-8/h1-5H,(H,12,13,15).
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one?
2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one has a molecular weight of 214.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137222903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).