N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine

C13H10N4O — CID 3041662

IUPACN-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C13H10N4O/c1-2-6-11(7-3-1)15-13-17-16-12(18-13)10-5-4-8-14-9-10/h1-9H,(H,15,17)
InChIKeyPLWSEIMDOOLZEO-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.88
Rot. Bonds3

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

N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 3041662) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID3041662
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C13H10N4O/c1-2-6-11(7-3-1)15-13-17-16-12(18-13)10-5-4-8-14-9-10/h1-9H,(H,15,17)
InChIKeyPLWSEIMDOOLZEO-UHFFFAOYSA-N
XLogP2.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(propan-2-yl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 15949471
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644858
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644860
N-(4-tert-butylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644872
N-(4-tert-butylphenyl)-5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644875
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644885
N-(3-methylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644889
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644895
3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
2-chloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4058147
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4226990

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine (CID 3041662) is N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine is c1ccc(Nc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is PLWSEIMDOOLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-6-11(7-3-1)15-13-17-16-12(18-13)10-5-4-8-14-9-10/h1-9H,(H,15,17).
What are the key properties of N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine?
N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 238.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-pyridin-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3041662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).