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

C21H17N3O4 — CID 9277216

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)o1
InChIInChI=1S/C21H17N3O4/c1-12-10-16(13(2)27-12)21(26)23-22-20(25)15-8-9-18-17(11-15)19(28-24-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyQDYQTFVZHRJOFX-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.78
Rot. Bonds3

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

N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide (PubChem CID 9277216) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
PubChem CID9277216
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)o1
InChIInChI=1S/C21H17N3O4/c1-12-10-16(13(2)27-12)21(26)23-22-20(25)15-8-9-18-17(11-15)19(28-24-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyQDYQTFVZHRJOFX-UHFFFAOYSA-N
XLogP3.78
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.78
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

N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9033671
3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9318764
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51087247
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide (CID 9277216) is N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide?
The InChIKey is QDYQTFVZHRJOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-12-10-16(13(2)27-12)21(26)23-22-20(25)15-8-9-18-17(11-15)19(28-24-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide has a molecular weight of 375.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide is sourced from PubChem (CID 9277216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).