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

C19H13N3O3S — CID 9318764

IUPAC3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C19H13N3O3S/c23-18(20-21-19(24)16-7-4-10-26-16)13-8-9-15-14(11-13)17(25-22-15)12-5-2-1-3-6-12/h1-11H,(H,20,23)(H,21,24)
InChIKeyYXDOVAAUNHVUML-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.63
Rot. Bonds3

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

3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide (PubChem CID 9318764) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
PubChem CID9318764
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C19H13N3O3S/c23-18(20-21-19(24)16-7-4-10-26-16)13-8-9-15-14(11-13)17(25-22-15)12-5-2-1-3-6-12/h1-11H,(H,20,23)(H,21,24)
InChIKeyYXDOVAAUNHVUML-UHFFFAOYSA-N
XLogP3.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.63
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'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9033671
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
CID 9277216
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
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
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
CID 35277011
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24647690

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide (CID 9318764) is 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
The InChIKey is YXDOVAAUNHVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-18(20-21-19(24)16-7-4-10-26-16)13-8-9-15-14(11-13)17(25-22-15)12-5-2-1-3-6-12/h1-11H,(H,20,23)(H,21,24).
What are the key properties of 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide?
3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide has a molecular weight of 363.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide is sourced from PubChem (CID 9318764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).