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

C21H20N4O2 — CID 44526872

IUPAC5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine
SMILESCCC(Nc1noc(-c2c(-c3ccccc3)noc2C)n1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-3-17(15-10-6-4-7-11-15)22-21-23-20(27-25-21)18-14(2)26-24-19(18)16-12-8-5-9-13-16/h4-13,17H,3H2,1-2H3,(H,22,25)
InChIKeyAHSLRIIXQCSHNS-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.26
Rot. Bonds6

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

5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526872) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine
PubChem CID44526872
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine
SMILESCCC(Nc1noc(-c2c(-c3ccccc3)noc2C)n1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-3-17(15-10-6-4-7-11-15)22-21-23-20(27-25-21)18-14(2)26-24-19(18)16-12-8-5-9-13-16/h4-13,17H,3H2,1-2H3,(H,22,25)
InChIKeyAHSLRIIXQCSHNS-UHFFFAOYSA-N
XLogP5.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine (CID 44526872) is 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine is CCC(Nc1noc(-c2c(-c3ccccc3)noc2C)n1)c1ccccc1.
What is the InChIKey of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is AHSLRIIXQCSHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-17(15-10-6-4-7-11-15)22-21-23-20(27-25-21)18-14(2)26-24-19(18)16-12-8-5-9-13-16/h4-13,17H,3H2,1-2H3,(H,22,25).
What are the key properties of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine?
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 360.42 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).