N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

C17H19N3O4 — CID 166668496

IUPACN-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(CCNC2Nc3cc(C(=O)NO)ccc3O2)cc1
InChIInChI=1S/C17H19N3O4/c1-23-13-5-2-11(3-6-13)8-9-18-17-19-14-10-12(16(21)20-22)4-7-15(14)24-17/h2-7,10,17-19,22H,8-9H2,1H3,(H,20,21)
InChIKeyGJIYBVGTEAPWKW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.73
Rot. Bonds6

About N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide (PubChem CID 166668496) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
PubChem CID166668496
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(CCNC2Nc3cc(C(=O)NO)ccc3O2)cc1
InChIInChI=1S/C17H19N3O4/c1-23-13-5-2-11(3-6-13)8-9-18-17-19-14-10-12(16(21)20-22)4-7-15(14)24-17/h2-7,10,17-19,22H,8-9H2,1H3,(H,20,21)
InChIKeyGJIYBVGTEAPWKW-UHFFFAOYSA-N
XLogP1.73
TPSA91.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.73
H-Bond Donors ≤ 54
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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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668546
2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668531
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645975
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
2-benzyl-N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645868
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
CID 138556030
N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
CID 141061466
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide (CID 166668496) is N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide is COc1ccc(CCNC2Nc3cc(C(=O)NO)ccc3O2)cc1.
What is the InChIKey of N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The InChIKey is GJIYBVGTEAPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-13-5-2-11(3-6-13)8-9-18-17-19-14-10-12(16(21)20-22)4-7-15(14)24-17/h2-7,10,17-19,22H,8-9H2,1H3,(H,20,21).
What are the key properties of N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166668496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).