3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide

C21H15ClFN3O4 — CID 26377118

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C21H15ClFN3O4/c1-10-12-6-3-4-9-15(12)29-19(10)21(28)25-24-20(27)16-11(2)30-26-18(16)17-13(22)7-5-8-14(17)23/h3-9H,1-2H3,(H,24,27)(H,25,28)
InChIKeyUBCMEPMLZUNCDA-UHFFFAOYSA-N
MW427.82 g/mol
LogP4.57
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide

3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide (PubChem CID 26377118) has the molecular formula C21H15ClFN3O4 and a molecular weight of 427.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
PubChem CID26377118
Molecular FormulaC21H15ClFN3O4
Molecular Weight427.82 g/mol
Exact Mass427.07
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C21H15ClFN3O4/c1-10-12-6-3-4-9-15(12)29-19(10)21(28)25-24-20(27)16-11(2)30-26-18(16)17-13(22)7-5-8-14(17)23/h3-9H,1-2H3,(H,24,27)(H,25,28)
InChIKeyUBCMEPMLZUNCDA-UHFFFAOYSA-N
XLogP4.57
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.82
LogP ≤ 54.57
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-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
CID 2814674
3-(2-chloro-6-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9161472
1-tert-butyl-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiourea
CID 9425522
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N'-(4-ethoxybenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26261602
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide (CID 26377118) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1oc2ccccc2c1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide?
The InChIKey is UBCMEPMLZUNCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O4/c1-10-12-6-3-4-9-15(12)29-19(10)21(28)25-24-20(27)16-11(2)30-26-18(16)17-13(22)7-5-8-14(17)23/h3-9H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide has a molecular weight of 427.82 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 26377118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).