N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

C10H12N2O3 — CID 122485771

IUPACN-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CNCCO2
InChIInChI=1S/C10H12N2O3/c13-10(12-14)7-1-2-9-8(5-7)6-11-3-4-15-9/h1-2,5,11,14H,3-4,6H2,(H,12,13)
InChIKeyOFDWLGMPYLPARH-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.29
Rot. Bonds1

About N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide (PubChem CID 122485771) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
PubChem CID122485771
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CNCCO2
InChIInChI=1S/C10H12N2O3/c13-10(12-14)7-1-2-9-8(5-7)6-11-3-4-15-9/h1-2,5,11,14H,3-4,6H2,(H,12,13)
InChIKeyOFDWLGMPYLPARH-UHFFFAOYSA-N
XLogP0.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.29
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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Related Compounds

N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 122438006
N-hydroxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine-9-carboxamide
CID 122439175
N-[2-[(2-methylphenyl)methylamino]phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
CID 167834075
methyl 4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoate;hydrochloride
CID 66820482
N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide
CID 91909393
4-(2,2-dimethylpropanoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide;methyl 4-(2,2-dimethylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate;methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 158058605
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ol;hydrochloride
CID 122164454
2-methyl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinoline-6-carboxamide
CID 166336751
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide;methyl 4-(2,6-dimethylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate;methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
CID 160887002
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl benzoate;hydrochloride
CID 86647851
N-[1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
CID 166261370
N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166178285

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide?
The IUPAC name of N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide (CID 122485771) is N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide?
The canonical SMILES for N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide is O=C(NO)c1ccc2c(c1)CNCCO2.
What is the InChIKey of N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide?
The InChIKey is OFDWLGMPYLPARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(12-14)7-1-2-9-8(5-7)6-11-3-4-15-9/h1-2,5,11,14H,3-4,6H2,(H,12,13).
What are the key properties of N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide?
N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide is sourced from PubChem (CID 122485771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).