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

C27H24N4O2 — CID 44526875

IUPACN-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1onc(-c2ccccc2)c1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C27H24N4O2/c1-19-24(25(30-32-19)22-15-9-4-10-16-22)26-29-27(31-33-26)28-18-17-23(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,23H,17-18H2,1H3,(H,28,31)
InChIKeyFMPXGYWRWZEMCW-UHFFFAOYSA-N
MW436.52 g/mol
LogP6.33
Rot. Bonds8

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

N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526875) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
PubChem CID44526875
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1onc(-c2ccccc2)c1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C27H24N4O2/c1-19-24(25(30-32-19)22-15-9-4-10-16-22)26-29-27(31-33-26)28-18-17-23(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,23H,17-18H2,1H3,(H,28,31)
InChIKeyFMPXGYWRWZEMCW-UHFFFAOYSA-N
XLogP6.33
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (CID 44526875) is N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is Cc1onc(-c2ccccc2)c1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is FMPXGYWRWZEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-19-24(25(30-32-19)22-15-9-4-10-16-22)26-29-27(31-33-26)28-18-17-23(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,23H,17-18H2,1H3,(H,28,31).
What are the key properties of N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 436.52 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).