3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide

C20H14N4O3 — CID 9033671

IUPAC3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C20H14N4O3/c25-19(22-23-20(26)17-8-4-5-11-21-17)14-9-10-16-15(12-14)18(27-24-16)13-6-2-1-3-7-13/h1-12H,(H,22,25)(H,23,26)
InChIKeyXUOXVTSJIMBQNO-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.96
Rot. Bonds3

About 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide

3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide (PubChem CID 9033671) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
PubChem CID9033671
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C20H14N4O3/c25-19(22-23-20(26)17-8-4-5-11-21-17)14-9-10-16-15(12-14)18(27-24-16)13-6-2-1-3-7-13/h1-12H,(H,22,25)(H,23,26)
InChIKeyXUOXVTSJIMBQNO-UHFFFAOYSA-N
XLogP2.96
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9318764
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
CID 9277216
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51087247
3-phenyl-N-(3-phenylprop-2-ynyl)-2,1-benzoxazole-5-carboxamide
CID 24615547
N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 86796098

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide (CID 9033671) is 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide is O=C(NNC(=O)c1ccccn1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
The InChIKey is XUOXVTSJIMBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-19(22-23-20(26)17-8-4-5-11-21-17)14-9-10-16-15(12-14)18(27-24-16)13-6-2-1-3-7-13/h1-12H,(H,22,25)(H,23,26).
What are the key properties of 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide has a molecular weight of 358.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide is sourced from PubChem (CID 9033671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).