N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide

C18H15N3O6 — CID 9273964

IUPACN'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O6/c22-16(8-15-18(24)19-11-3-1-2-4-12(11)27-15)20-21-17(23)10-5-6-13-14(7-10)26-9-25-13/h1-7,15H,8-9H2,(H,19,24)(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyRRDWYCQCPBLBDM-OAHLLOKOSA-N
MW369.33 g/mol
LogP0.97
Rot. Bonds3

About N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide

N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9273964) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9273964
Molecular FormulaC18H15N3O6
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC NameN'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O6/c22-16(8-15-18(24)19-11-3-1-2-4-12(11)27-15)20-21-17(23)10-5-6-13-14(7-10)26-9-25-13/h1-7,15H,8-9H2,(H,19,24)(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyRRDWYCQCPBLBDM-OAHLLOKOSA-N
XLogP0.97
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]benzohydrazide
CID 9037782
5-bromo-N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]thiophene-2-carbohydrazide
CID 9154710
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948835
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948836
(5S)-5-ethyl-N'-[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 9155420
1-(2-fluorophenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9278321
1-(4-chlorophenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9317377
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]acetamide
CID 59802846
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273889
N-(4-methylpiperazin-1-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205856
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273888

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide (CID 9273964) is N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide is O=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is RRDWYCQCPBLBDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15N3O6/c22-16(8-15-18(24)19-11-3-1-2-4-12(11)27-15)20-21-17(23)10-5-6-13-14(7-10)26-9-25-13/h1-7,15H,8-9H2,(H,19,24)(H,20,22)(H,21,23)/t15-/m1/s1.
What are the key properties of N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 369.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9273964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).