3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine

C14H12N4O — CID 3472507

IUPAC3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine
SMILESc1ccc(Nc2nonc2Nc2ccccc2)cc1
InChIInChI=1S/C14H12N4O/c1-3-7-11(8-4-1)15-13-14(18-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
InChIKeyODWQNZUGZWWYCG-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.56
Rot. Bonds4

About 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine

3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine (PubChem CID 3472507) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine
PubChem CID3472507
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine
SMILESc1ccc(Nc2nonc2Nc2ccccc2)cc1
InChIInChI=1S/C14H12N4O/c1-3-7-11(8-4-1)15-13-14(18-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
InChIKeyODWQNZUGZWWYCG-UHFFFAOYSA-N
XLogP3.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine?
The IUPAC name of 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine (CID 3472507) is 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine.
What is the SMILES notation for 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine?
The canonical SMILES for 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine is c1ccc(Nc2nonc2Nc2ccccc2)cc1.
What is the InChIKey of 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine?
The InChIKey is ODWQNZUGZWWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-3-7-11(8-4-1)15-13-14(18-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18).
What are the key properties of 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine?
3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine has a molecular weight of 252.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-diphenyl-1,2,5-oxadiazole-3,4-diamine is sourced from PubChem (CID 3472507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).