(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide

C13H16N2O4 — CID 748723

IUPAC(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H16N2O4/c1-18-10-6-3-2-5-9(10)12(16)14-15-13(17)11-7-4-8-19-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyBMTLIYWCGRGMPJ-NSHDSACASA-N
MW264.28 g/mol
LogP0.64
Rot. Bonds3

About (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide

(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide (PubChem CID 748723) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
PubChem CID748723
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H16N2O4/c1-18-10-6-3-2-5-9(10)12(16)14-15-13(17)11-7-4-8-19-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyBMTLIYWCGRGMPJ-NSHDSACASA-N
XLogP0.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
CID 86985910
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide (CID 748723) is (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide is COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide?
The InChIKey is BMTLIYWCGRGMPJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-10-6-3-2-5-9(10)12(16)14-15-13(17)11-7-4-8-19-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide?
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide has a molecular weight of 264.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 748723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).