(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide

C18H21N3O4S — CID 39480889

IUPAC(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)[C@H]1CCCO1
InChIInChI=1S/C18H21N3O4S/c1-11-14(12(2)25-21-11)10-26-16-8-4-3-6-13(16)17(22)19-20-18(23)15-7-5-9-24-15/h3-4,6,8,15H,5,7,9-10H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyZFNNBPSFIHNZHE-OAHLLOKOSA-N
MW375.45 g/mol
LogP2.52
Rot. Bonds5

About (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide

(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide (PubChem CID 39480889) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide
PubChem CID39480889
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)[C@H]1CCCO1
InChIInChI=1S/C18H21N3O4S/c1-11-14(12(2)25-21-11)10-26-16-8-4-3-6-13(16)17(22)19-20-18(23)15-7-5-9-24-15/h3-4,6,8,15H,5,7,9-10H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyZFNNBPSFIHNZHE-OAHLLOKOSA-N
XLogP2.52
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide with MolForge

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 55806159
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814232
N-(2-amino-1-cyclohexylethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 119591141
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 51925382
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562671
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 18532839
(4-aminopiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 119375601
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 112768056
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46550494
N-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 43062564

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide?
The IUPAC name of (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide (CID 39480889) is (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide?
The canonical SMILES for (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide is Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide?
The InChIKey is ZFNNBPSFIHNZHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11-14(12(2)25-21-11)10-26-16-8-4-3-6-13(16)17(22)19-20-18(23)15-7-5-9-24-15/h3-4,6,8,15H,5,7,9-10H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide?
(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide has a molecular weight of 375.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 39480889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).