5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide

C10H15N3O4 — CID 55213200

IUPAC5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COCC2CCCO2)on1
InChIInChI=1S/C10H15N3O4/c11-12-10(14)9-4-8(17-13-9)6-15-5-7-2-1-3-16-7/h4,7H,1-3,5-6,11H2,(H,12,14)
InChIKeyFYIHPMNEGVPHDB-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.03
Rot. Bonds5

About 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide

5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 55213200) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID55213200
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COCC2CCCO2)on1
InChIInChI=1S/C10H15N3O4/c11-12-10(14)9-4-8(17-13-9)6-15-5-7-2-1-3-16-7/h4,7H,1-3,5-6,11H2,(H,12,14)
InChIKeyFYIHPMNEGVPHDB-UHFFFAOYSA-N
XLogP-0.03
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396
5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63574753
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 55213330
2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 63575257
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103234752
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide (CID 55213200) is 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COCC2CCCO2)on1.
What is the InChIKey of 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is FYIHPMNEGVPHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c11-12-10(14)9-4-8(17-13-9)6-15-5-7-2-1-3-16-7/h4,7H,1-3,5-6,11H2,(H,12,14).
What are the key properties of 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide?
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 241.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55213200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).