2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide

C16H16N2O3 — CID 166668531

IUPAC2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(C2Nc3cc(C(=O)NO)ccc3O2)cc1C
InChIInChI=1S/C16H16N2O3/c1-9-3-4-12(7-10(9)2)16-17-13-8-11(15(19)18-20)5-6-14(13)21-16/h3-8,16-17,20H,1-2H3,(H,18,19)
InChIKeyIXOUWQUEWHBCNJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.93
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide

2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide (PubChem CID 166668531) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
PubChem CID166668531
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(C2Nc3cc(C(=O)NO)ccc3O2)cc1C
InChIInChI=1S/C16H16N2O3/c1-9-3-4-12(7-10(9)2)16-17-13-8-11(15(19)18-20)5-6-14(13)21-16/h3-8,16-17,20H,1-2H3,(H,18,19)
InChIKeyIXOUWQUEWHBCNJ-UHFFFAOYSA-N
XLogP2.93
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide (CID 166668531) is 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide is Cc1ccc(C2Nc3cc(C(=O)NO)ccc3O2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The InChIKey is IXOUWQUEWHBCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-4-12(7-10(9)2)16-17-13-8-11(15(19)18-20)5-6-14(13)21-16/h3-8,16-17,20H,1-2H3,(H,18,19).
What are the key properties of 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166668531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).