4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

C19H16FN3O5 — CID 126645661

IUPAC4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NO)cc2N(Cc2nc3ccc(F)cc3o2)C1=O
InChIInChI=1S/C19H16FN3O5/c1-19(2)18(25)23(9-16-21-12-5-4-11(20)8-15(12)27-16)13-7-10(17(24)22-26)3-6-14(13)28-19/h3-8,26H,9H2,1-2H3,(H,22,24)
InChIKeyOGTHRWUICQKFJI-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.79
Rot. Bonds3

About 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126645661) has the molecular formula C19H16FN3O5 and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126645661
Molecular FormulaC19H16FN3O5
Molecular Weight385.35 g/mol
Exact Mass385.11
IUPAC Name4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NO)cc2N(Cc2nc3ccc(F)cc3o2)C1=O
InChIInChI=1S/C19H16FN3O5/c1-19(2)18(25)23(9-16-21-12-5-4-11(20)8-15(12)27-16)13-7-10(17(24)22-26)3-6-14(13)28-19/h3-8,26H,9H2,1-2H3,(H,22,24)
InChIKeyOGTHRWUICQKFJI-UHFFFAOYSA-N
XLogP2.79
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126645661) is 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is CC1(C)Oc2ccc(C(=O)NO)cc2N(Cc2nc3ccc(F)cc3o2)C1=O.
What is the InChIKey of 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is OGTHRWUICQKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5/c1-19(2)18(25)23(9-16-21-12-5-4-11(20)8-15(12)27-16)13-7-10(17(24)22-26)3-6-14(13)28-19/h3-8,26H,9H2,1-2H3,(H,22,24).
What are the key properties of 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).