4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine

C15H14N4O — CID 15266648

IUPAC4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N4O/c16-15-14(18-20-19-15)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13,17H,(H2,16,19)
InChIKeyBGXXFYSCBLVVNW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds4

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

4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine (PubChem CID 15266648) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine
PubChem CID15266648
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N4O/c16-15-14(18-20-19-15)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13,17H,(H2,16,19)
InChIKeyBGXXFYSCBLVVNW-UHFFFAOYSA-N
XLogP2.85
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine (CID 15266648) is 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine is Nc1nonc1C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is BGXXFYSCBLVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-15-14(18-20-19-15)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13,17H,(H2,16,19).
What are the key properties of 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine?
4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 266.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 15266648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).