5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine

C18H15N5O — CID 133482502

IUPAC5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2cnc(CNc3noc(-c4ccccc4)n3)[nH]2)cc1
InChIInChI=1S/C18H15N5O/c1-3-7-13(8-4-1)15-11-19-16(21-15)12-20-18-22-17(24-23-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,21)(H,20,23)
InChIKeyUPRKDPWHNOVDPG-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.74
Rot. Bonds5

About 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine

5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 133482502) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID133482502
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESc1ccc(-c2cnc(CNc3noc(-c4ccccc4)n3)[nH]2)cc1
InChIInChI=1S/C18H15N5O/c1-3-7-13(8-4-1)15-11-19-16(21-15)12-20-18-22-17(24-23-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,21)(H,20,23)
InChIKeyUPRKDPWHNOVDPG-UHFFFAOYSA-N
XLogP3.74
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine (CID 133482502) is 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine is c1ccc(-c2cnc(CNc3noc(-c4ccccc4)n3)[nH]2)cc1.
What is the InChIKey of 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is UPRKDPWHNOVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-3-7-13(8-4-1)15-11-19-16(21-15)12-20-18-22-17(24-23-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,21)(H,20,23).
What are the key properties of 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine?
5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 317.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133482502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).