N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide

C16H17N3O5 — CID 8624242

IUPACN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCc1noc(C)c1CCC(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H17N3O5/c1-9-12(10(2)24-19-9)4-6-15(20)17-18-16(21)11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPEJDXOACJLUHRE-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.41
Rot. Bonds4

About N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 8624242) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID8624242
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCc1noc(C)c1CCC(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H17N3O5/c1-9-12(10(2)24-19-9)4-6-15(20)17-18-16(21)11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPEJDXOACJLUHRE-UHFFFAOYSA-N
XLogP1.41
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 18132174
N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9084711
N'-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 46634733
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide
CID 8624261
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 58409633
4-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 18159216
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 8624241
N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide
CID 25295416
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9400978

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide (CID 8624242) is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide is Cc1noc(C)c1CCC(=O)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is PEJDXOACJLUHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-9-12(10(2)24-19-9)4-6-15(20)17-18-16(21)11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 331.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 8624242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).