2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C19H14BrN3O2 — CID 66579316

IUPAC2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1noc(-c2ccc(Br)cc2)c1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H14BrN3O2/c1-12-16(18(25-23-12)13-7-9-15(20)10-8-13)11-17-21-22-19(24-17)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyINAKZYTVBOBWNJ-UHFFFAOYSA-N
MW396.24 g/mol
LogP5.05
Rot. Bonds4

About 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 66579316) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID66579316
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1noc(-c2ccc(Br)cc2)c1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H14BrN3O2/c1-12-16(18(25-23-12)13-7-9-15(20)10-8-13)11-17-21-22-19(24-17)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyINAKZYTVBOBWNJ-UHFFFAOYSA-N
XLogP5.05
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.24
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 148935050
2-benzyl-5-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
CID 66577754
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 66578224
2-[(3-methyl-1,2-oxazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 141297223
1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 52915184
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
5-(4-bromophenyl)-3-methyl-4-prop-2-enyl-1,2-oxazole
CID 66577235
(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
CID 123261039
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
2-(4-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16541594
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 123274472

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 66579316) is 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole is Cc1noc(-c2ccc(Br)cc2)c1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is INAKZYTVBOBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c1-12-16(18(25-23-12)13-7-9-15(20)10-8-13)11-17-21-22-19(24-17)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 396.24 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 66579316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).