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

C19H15BrN4O2 — CID 66579240

IUPACN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1noc(-c2ccc(Br)cc2)c1CNc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15BrN4O2/c1-12-16(17(26-24-12)13-7-9-15(20)10-8-13)11-21-19-23-22-18(25-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyJOMAKHKRGNFINP-UHFFFAOYSA-N
MW411.26 g/mol
LogP5.07
Rot. Bonds5

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

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 66579240) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID66579240
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1noc(-c2ccc(Br)cc2)c1CNc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15BrN4O2/c1-12-16(17(26-24-12)13-7-9-15(20)10-8-13)11-21-19-23-22-18(25-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyJOMAKHKRGNFINP-UHFFFAOYSA-N
XLogP5.07
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (CID 66579240) is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is Cc1noc(-c2ccc(Br)cc2)c1CNc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is JOMAKHKRGNFINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-12-16(17(26-24-12)13-7-9-15(20)10-8-13)11-21-19-23-22-18(25-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 411.26 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).