3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide

C19H12ClF4N3O3 — CID 2814674

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF4N3O3/c1-9-14(16(27-30-9)15-12(20)3-2-4-13(15)21)18(29)26-25-17(28)10-5-7-11(8-6-10)19(22,23)24/h2-8H,1H3,(H,25,28)(H,26,29)
InChIKeyVXCRIKCPRHKYPV-UHFFFAOYSA-N
MW441.77 g/mol
LogP4.54
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide

3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide (PubChem CID 2814674) has the molecular formula C19H12ClF4N3O3 and a molecular weight of 441.77 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
PubChem CID2814674
Molecular FormulaC19H12ClF4N3O3
Molecular Weight441.77 g/mol
Exact Mass441.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF4N3O3/c1-9-14(16(27-30-9)15-12(20)3-2-4-13(15)21)18(29)26-25-17(28)10-5-7-11(8-6-10)19(22,23)24/h2-8H,1H3,(H,25,28)(H,26,29)
InChIKeyVXCRIKCPRHKYPV-UHFFFAOYSA-N
XLogP4.54
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.77
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-N'-(4-ethoxybenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26261602
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'-[2-(4-fluorophenyl)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9161472
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'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26311764
1-tert-butyl-3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]urea
CID 2798113
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
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
CID 26377118
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-cyclopentylthiourea
CID 9146997

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide (CID 2814674) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide?
The InChIKey is VXCRIKCPRHKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N3O3/c1-9-14(16(27-30-9)15-12(20)3-2-4-13(15)21)18(29)26-25-17(28)10-5-7-11(8-6-10)19(22,23)24/h2-8H,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide has a molecular weight of 441.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2814674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).