4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

C19H17N3O5 — CID 126678159

IUPAC4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCc1cc2nc(CN3C(=O)COc4ccc(C(=O)NO)cc43)oc2cc1C
InChIInChI=1S/C19H17N3O5/c1-10-5-13-16(6-11(10)2)27-17(20-13)8-22-14-7-12(19(24)21-25)3-4-15(14)26-9-18(22)23/h3-7,25H,8-9H2,1-2H3,(H,21,24)
InChIKeyUWPHAOSWCGYSQG-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.49
Rot. Bonds3

About 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126678159) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126678159
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCc1cc2nc(CN3C(=O)COc4ccc(C(=O)NO)cc43)oc2cc1C
InChIInChI=1S/C19H17N3O5/c1-10-5-13-16(6-11(10)2)27-17(20-13)8-22-14-7-12(19(24)21-25)3-4-15(14)26-9-18(22)23/h3-7,25H,8-9H2,1-2H3,(H,21,24)
InChIKeyUWPHAOSWCGYSQG-UHFFFAOYSA-N
XLogP2.49
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.49
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'}

Analyze 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646087
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-6-propanoyl-1,4-benzoxazin-3-one
CID 148825932
N-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
N-hydroxy-3-oxo-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-benzoxazine-6-carboxamide
CID 126645857
4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645661
N-hydroxy-4-[(6-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645529
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
4-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645531
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017
4-[(5-chloro-2-phenyl-1,3-thiazol-4-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646121

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126678159) is 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is Cc1cc2nc(CN3C(=O)COc4ccc(C(=O)NO)cc43)oc2cc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is UWPHAOSWCGYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-10-5-13-16(6-11(10)2)27-17(20-13)8-22-14-7-12(19(24)21-25)3-4-15(14)26-9-18(22)23/h3-7,25H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126678159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).