3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine

C15H13N3O — CID 3384405

IUPAC3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine
SMILES[H]/N=c1\oc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C15H13N3O/c16-15-18(11-12-7-3-1-4-8-12)17-14(19-15)13-9-5-2-6-10-13/h1-10,16H,11H2/b16-15-
InChIKeyHEKNQGFCPQJOIM-NXVVXOECSA-N
MW251.29 g/mol
LogP2.67
Rot. Bonds3

About 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine

3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine (PubChem CID 3384405) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine
PubChem CID3384405
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine
SMILES[H]/N=c1\oc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C15H13N3O/c16-15-18(11-12-7-3-1-4-8-12)17-14(19-15)13-9-5-2-6-10-13/h1-10,16H,11H2/b16-15-
InChIKeyHEKNQGFCPQJOIM-NXVVXOECSA-N
XLogP2.67
TPSA54.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
1-benzylpyrrole-2,5-diimine
CID 151437818
5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
CID 134106929
5-phenyl-3-[[4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 6958130
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
2-benzyl-5-phenylpyridazin-3-one
CID 71418083
3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
CID 155547405
5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylpyrazole
CID 66015304
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
3-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3700631
3-(morpholin-4-ylmethyl)-5-phenyl-1,3,4-oxadiazole-2-thione
CID 702154
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine?
The IUPAC name of 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine (CID 3384405) is 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine.
What is the SMILES notation for 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine?
The canonical SMILES for 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine is [H]/N=c1\oc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine?
The InChIKey is HEKNQGFCPQJOIM-NXVVXOECSA-N. The full InChI is InChI=1S/C15H13N3O/c16-15-18(11-12-7-3-1-4-8-12)17-14(19-15)13-9-5-2-6-10-13/h1-10,16H,11H2/b16-15-.
What are the key properties of 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine?
3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine has a molecular weight of 251.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1,3,4-oxadiazol-2-imine is sourced from PubChem (CID 3384405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).