2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide

C18H15F2N3O3 — CID 153457699

IUPAC2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide
SMILESCc1noc(C)c1-c1cc(F)c(Nc2ccccc2C(=O)NO)c(F)c1
InChIInChI=1S/C18H15F2N3O3/c1-9-16(10(2)26-23-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(24)22-25/h3-8,21,25H,1-2H3,(H,22,24)
InChIKeyZFOCSLZFJSBKCE-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.10
Rot. Bonds4

About 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide

2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide (PubChem CID 153457699) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide
PubChem CID153457699
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide
SMILESCc1noc(C)c1-c1cc(F)c(Nc2ccccc2C(=O)NO)c(F)c1
InChIInChI=1S/C18H15F2N3O3/c1-9-16(10(2)26-23-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(24)22-25/h3-8,21,25H,1-2H3,(H,22,24)
InChIKeyZFOCSLZFJSBKCE-UHFFFAOYSA-N
XLogP4.10
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide (CID 153457699) is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide is Cc1noc(C)c1-c1cc(F)c(Nc2ccccc2C(=O)NO)c(F)c1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide?
The InChIKey is ZFOCSLZFJSBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-9-16(10(2)26-23-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(24)22-25/h3-8,21,25H,1-2H3,(H,22,24).
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide?
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide has a molecular weight of 359.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide is sourced from PubChem (CID 153457699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).