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

C17H11BrN4O2 — CID 22583428

IUPAC3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H11BrN4O2/c18-12-7-5-11(6-8-12)16-20-15(21-24-16)9-22-10-19-14-4-2-1-3-13(14)17(22)23/h1-8,10H,9H2
InChIKeyOBPLAHMNSGKJNU-UHFFFAOYSA-N
MW383.21 g/mol
LogP3.26
Rot. Bonds3

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

3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one (PubChem CID 22583428) has the molecular formula C17H11BrN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
PubChem CID22583428
Molecular FormulaC17H11BrN4O2
Molecular Weight383.21 g/mol
Exact Mass382.01
IUPAC Name3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H11BrN4O2/c18-12-7-5-11(6-8-12)16-20-15(21-24-16)9-22-10-19-14-4-2-1-3-13(14)17(22)23/h1-8,10H,9H2
InChIKeyOBPLAHMNSGKJNU-UHFFFAOYSA-N
XLogP3.26
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one (CID 22583428) is 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1noc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
The InChIKey is OBPLAHMNSGKJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O2/c18-12-7-5-11(6-8-12)16-20-15(21-24-16)9-22-10-19-14-4-2-1-3-13(14)17(22)23/h1-8,10H,9H2.
What are the key properties of 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one?
3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one has a molecular weight of 383.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 22583428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).