N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide

C10H11N3O3 — CID 116846930

IUPACN',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
SMILESCNNC(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C10H11N3O3/c1-11-12-9(14)6-3-4-8-7(5-6)13(2)10(15)16-8/h3-5,11H,1-2H3,(H,12,14)
InChIKeyRDOVMUGXYMAWJI-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.00
Rot. Bonds2

About N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide

N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide (PubChem CID 116846930) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide.

Molecular Properties

Compound NameN',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
PubChem CID116846930
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
SMILESCNNC(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C10H11N3O3/c1-11-12-9(14)6-3-4-8-7(5-6)13(2)10(15)16-8/h3-5,11H,1-2H3,(H,12,14)
InChIKeyRDOVMUGXYMAWJI-UHFFFAOYSA-N
XLogP-0.00
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide?
The IUPAC name of N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide (CID 116846930) is N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide.
What is the SMILES notation for N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide?
The canonical SMILES for N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide is CNNC(=O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide?
The InChIKey is RDOVMUGXYMAWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-11-12-9(14)6-3-4-8-7(5-6)13(2)10(15)16-8/h3-5,11H,1-2H3,(H,12,14).
What are the key properties of N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide?
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide has a molecular weight of 221.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide is sourced from PubChem (CID 116846930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).