N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine

C15H13N3O — CID 11299717

IUPACN-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H13N3O/c1-3-7-12(8-4-1)11-16-15-18-17-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKeyZFLFGTKQNJKOFK-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.35
Rot. Bonds4

About N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine

N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 11299717) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID11299717
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H13N3O/c1-3-7-12(8-4-1)11-16-15-18-17-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKeyZFLFGTKQNJKOFK-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
4-[[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzoic acid
CID 110456418
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 110456182
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055
N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine
CID 16759411
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine (CID 11299717) is N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(CNc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is ZFLFGTKQNJKOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-3-7-12(8-4-1)11-16-15-18-17-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18).
What are the key properties of N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine?
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 251.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11299717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).