(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide

C13H16N2O3 — CID 40870131

IUPAC(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H16N2O3/c1-9-4-6-10(7-5-9)12(16)14-15-13(17)11-3-2-8-18-11/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyJRSKYWNMMDOTEE-NSHDSACASA-N
MW248.28 g/mol
LogP0.94
Rot. Bonds2

About (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide

(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide (PubChem CID 40870131) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
PubChem CID40870131
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H16N2O3/c1-9-4-6-10(7-5-9)12(16)14-15-13(17)11-3-2-8-18-11/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyJRSKYWNMMDOTEE-NSHDSACASA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide (CID 40870131) is (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide?
The InChIKey is JRSKYWNMMDOTEE-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-4-6-10(7-5-9)12(16)14-15-13(17)11-3-2-8-18-11/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide?
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide has a molecular weight of 248.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 40870131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).