N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C10H12N2O3 — CID 163392818

IUPACN-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCN1CC(C(=O)NO)Oc2ccccc21
InChIInChI=1S/C10H12N2O3/c1-12-6-9(10(13)11-14)15-8-5-3-2-4-7(8)12/h2-5,9,14H,6H2,1H3,(H,11,13)
InChIKeyZFRDZMDRRLVREN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.39
Rot. Bonds1

About N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 163392818) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID163392818
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCN1CC(C(=O)NO)Oc2ccccc21
InChIInChI=1S/C10H12N2O3/c1-12-6-9(10(13)11-14)15-8-5-3-2-4-7(8)12/h2-5,9,14H,6H2,1H3,(H,11,13)
InChIKeyZFRDZMDRRLVREN-UHFFFAOYSA-N
XLogP0.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
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

(2S)-N-(2-cyclohexylsulfanylethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125177462
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74249393
4-methyl-N-[2-(pyridin-3-ylamino)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74250922
(2R)-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125170393
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 10546174
6-N-hydroxy-4-methyl-2-N-(oxan-4-yl)-2,3-dihydro-1,4-benzoxazine-2,6-dicarboxamide;hydrochloride
CID 137355982
4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 131927684
(2R)-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490035
N-(1-methylpiperidin-4-yl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 50875484
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
(2R)-N-cyclopropyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 28633393
(2S)-4-(2-chloroacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25323366

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 163392818) is N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CN1CC(C(=O)NO)Oc2ccccc21.
What is the InChIKey of N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is ZFRDZMDRRLVREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-6-9(10(13)11-14)15-8-5-3-2-4-7(8)12/h2-5,9,14H,6H2,1H3,(H,11,13).
What are the key properties of N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 163392818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).