5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine

C18H15N5O — CID 133482509

IUPAC5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCc3ccccc3-n3cccn3)no2)cc1
InChIInChI=1S/C18H15N5O/c1-2-7-14(8-3-1)17-21-18(22-24-17)19-13-15-9-4-5-10-16(15)23-12-6-11-20-23/h1-12H,13H2,(H,19,22)
InChIKeyMEKPZFGNSQAUBY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.53
Rot. Bonds5

About 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine

5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 133482509) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID133482509
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2nc(NCc3ccccc3-n3cccn3)no2)cc1
InChIInChI=1S/C18H15N5O/c1-2-7-14(8-3-1)17-21-18(22-24-17)19-13-15-9-4-5-10-16(15)23-12-6-11-20-23/h1-12H,13H2,(H,19,22)
InChIKeyMEKPZFGNSQAUBY-UHFFFAOYSA-N
XLogP3.53
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-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

5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine
CID 133481887
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154887071
5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 133482502
5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 61166350
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one
CID 133482727
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
N-[(5-bromothiophen-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167302
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 103756564

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine (CID 133482509) is 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine is c1ccc(-c2nc(NCc3ccccc3-n3cccn3)no2)cc1.
What is the InChIKey of 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is MEKPZFGNSQAUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-2-7-14(8-3-1)17-21-18(22-24-17)19-13-15-9-4-5-10-16(15)23-12-6-11-20-23/h1-12H,13H2,(H,19,22).
What are the key properties of 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 317.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133482509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).