5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C10H16N4O3 — CID 103540516

IUPAC5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCOC1CCN(Cc2cc(C(=O)NN)no2)C1
InChIInChI=1S/C10H16N4O3/c1-16-7-2-3-14(5-7)6-8-4-9(13-17-8)10(15)12-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,15)
InChIKeyAOAGGXLHDWIKFA-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.50
Rot. Bonds4

About 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 103540516) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID103540516
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCOC1CCN(Cc2cc(C(=O)NN)no2)C1
InChIInChI=1S/C10H16N4O3/c1-16-7-2-3-14(5-7)6-8-4-9(13-17-8)10(15)12-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,15)
InChIKeyAOAGGXLHDWIKFA-UHFFFAOYSA-N
XLogP-0.50
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.50
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-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572215
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572291
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 107408898
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 102728790
N-[[5-[(3-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 102968147
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 79507342
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 103540514
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 103540516) is 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is COC1CCN(Cc2cc(C(=O)NN)no2)C1.
What is the InChIKey of 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is AOAGGXLHDWIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-16-7-2-3-14(5-7)6-8-4-9(13-17-8)10(15)12-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,15).
What are the key properties of 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 240.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 103540516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).