2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole

C17H11BrN4O2 — CID 2104338

IUPAC2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(COc2ncnc3ccccc23)o1
InChIInChI=1S/C17H11BrN4O2/c18-13-7-3-1-5-11(13)17-22-21-15(24-17)9-23-16-12-6-2-4-8-14(12)19-10-20-16/h1-8,10H,9H2
InChIKeyFCFFCUKVWGUJQL-UHFFFAOYSA-N
MW383.21 g/mol
LogP4.02
Rot. Bonds4

About 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole

2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 2104338) has the molecular formula C17H11BrN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole
PubChem CID2104338
Molecular FormulaC17H11BrN4O2
Molecular Weight383.21 g/mol
Exact Mass382.01
IUPAC Name2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(COc2ncnc3ccccc23)o1
InChIInChI=1S/C17H11BrN4O2/c18-13-7-3-1-5-11(13)17-22-21-15(24-17)9-23-16-12-6-2-4-8-14(12)19-10-20-16/h1-8,10H,9H2
InChIKeyFCFFCUKVWGUJQL-UHFFFAOYSA-N
XLogP4.02
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 7713933
2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole
CID 7894357
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylquinoline-4-carboxylate
CID 2484445
2-(2-bromophenyl)-5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxymethyl]-1,3,4-oxadiazole
CID 2529005
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
4-[(2-methylphenyl)methoxy]quinazoline
CID 112787376
4-ethoxyquinazoline
CID 589708
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-cyclopentylpropanoate
CID 4857212
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethoxybenzoate
CID 4829023

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole (CID 2104338) is 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole is Brc1ccccc1-c1nnc(COc2ncnc3ccccc23)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is FCFFCUKVWGUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O2/c18-13-7-3-1-5-11(13)17-22-21-15(24-17)9-23-16-12-6-2-4-8-14(12)19-10-20-16/h1-8,10H,9H2.
What are the key properties of 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 383.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2104338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).