5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide

C20H14ClN3O4 — CID 24665378

IUPAC5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)oc2ccccc12
InChIInChI=1S/C20H14ClN3O4/c1-11-14-4-2-3-5-16(14)27-18(11)20(26)23-22-19(25)15-10-17(28-24-15)12-6-8-13(21)9-7-12/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyOSEOVHPIEVZPME-UHFFFAOYSA-N
MW395.80 g/mol
LogP4.12
Rot. Bonds3

About 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide

5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 24665378) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
PubChem CID24665378
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC Name5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)oc2ccccc12
InChIInChI=1S/C20H14ClN3O4/c1-11-14-4-2-3-5-16(14)27-18(11)20(26)23-22-19(25)15-10-17(28-24-15)12-6-8-13(21)9-7-12/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyOSEOVHPIEVZPME-UHFFFAOYSA-N
XLogP4.12
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.12
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

5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 37338452
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685228
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
CID 26377118
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2178225
3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 9297211
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448027

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide (CID 24665378) is 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)on2)oc2ccccc12.
What is the InChIKey of 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is OSEOVHPIEVZPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c1-11-14-4-2-3-5-16(14)27-18(11)20(26)23-22-19(25)15-10-17(28-24-15)12-6-8-13(21)9-7-12/h2-10H,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 395.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 24665378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).