4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide

C16H14N4O2 — CID 1253418

IUPAC4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c17-15-14(19-22-20-15)16(21)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,17,20)(H,18,21)
InChIKeyBGWQABJKOYVJFX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 1253418) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide
PubChem CID1253418
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c17-15-14(19-22-20-15)16(21)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,17,20)(H,18,21)
InChIKeyBGWQABJKOYVJFX-UHFFFAOYSA-N
XLogP2.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide (CID 1253418) is 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BGWQABJKOYVJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-15-14(19-22-20-15)16(21)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,17,20)(H,18,21).
What are the key properties of 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzhydryl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 1253418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).