[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine

C15H13N3O — CID 28527543

IUPAC[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H13N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9H,10,16H2
InChIKeyBULWMDUWYJVERH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.86
Rot. Bonds3

About [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine

[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine (PubChem CID 28527543) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
PubChem CID28527543
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H13N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9H,10,16H2
InChIKeyBULWMDUWYJVERH-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892509
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 120892792
[4-[5-(4-cyclopentylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893086
N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride
CID 120893050
[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 60894269
3-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N-dipropylbenzamide;hydrochloride
CID 120892680

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine (CID 28527543) is [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine is NCc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The InChIKey is BULWMDUWYJVERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9H,10,16H2.
What are the key properties of [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine has a molecular weight of 251.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 28527543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).