N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide

C11H13N3O4 — CID 116846784

IUPACN'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
SMILESCNNC(=O)COCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O4/c1-12-14-10(15)6-17-5-7-2-3-9-8(4-7)13-11(16)18-9/h2-4,12H,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyRSGBISVSALBTOR-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.11
Rot. Bonds5

About N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide

N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide (PubChem CID 116846784) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide.

Molecular Properties

Compound NameN'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
PubChem CID116846784
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
SMILESCNNC(=O)COCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O4/c1-12-14-10(15)6-17-5-7-2-3-9-8(4-7)13-11(16)18-9/h2-4,12H,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyRSGBISVSALBTOR-UHFFFAOYSA-N
XLogP-0.11
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846700
methyl 2,2-dimethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoate
CID 116927593
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115133414
N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide
CID 116847217
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide
CID 116849572
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315
N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115152122

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide?
The IUPAC name of N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide (CID 116846784) is N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide.
What is the SMILES notation for N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide?
The canonical SMILES for N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide is CNNC(=O)COCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide?
The InChIKey is RSGBISVSALBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-12-14-10(15)6-17-5-7-2-3-9-8(4-7)13-11(16)18-9/h2-4,12H,5-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide?
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide has a molecular weight of 251.24 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide is sourced from PubChem (CID 116846784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).