N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide

C12H15N3O3 — CID 116847217

IUPACN',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)(C)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-12(2,10(16)15-13-3)7-4-5-9-8(6-7)14-11(17)18-9/h4-6,13H,1-3H3,(H,14,17)(H,15,16)
InChIKeySHUHTYRNZQXZPP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds3

About N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide

N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide (PubChem CID 116847217) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide.

Molecular Properties

Compound NameN',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide
PubChem CID116847217
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)(C)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-12(2,10(16)15-13-3)7-4-5-9-8(6-7)14-11(17)18-9/h4-6,13H,1-3H3,(H,14,17)(H,15,16)
InChIKeySHUHTYRNZQXZPP-UHFFFAOYSA-N
XLogP0.65
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
CID 117283453
5-[2-methyl-1-[2-(methylamino)ethylamino]propan-2-yl]-3H-1,3-benzoxazol-2-one
CID 115196207
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
1-amino-3-[2-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propyl]urea
CID 115193194
5-(2-amino-1,1-difluoro-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116839450
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784
4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
5-(3-amino-3-methylbutanoyl)-3H-1,3-benzoxazol-2-one
CID 116915773
2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 55121279
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
methyl 2,2-dimethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoate
CID 116927593
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide?
The IUPAC name of N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide (CID 116847217) is N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide.
What is the SMILES notation for N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide?
The canonical SMILES for N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide is CNNC(=O)C(C)(C)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide?
The InChIKey is SHUHTYRNZQXZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2,10(16)15-13-3)7-4-5-9-8(6-7)14-11(17)18-9/h4-6,13H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide?
N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide has a molecular weight of 249.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide is sourced from PubChem (CID 116847217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).