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

C11H18N4O2 — CID 63569876

IUPAC5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC1CCCN1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H18N4O2/c1-2-8-4-3-5-15(8)7-9-6-10(14-17-9)11(16)13-12/h6,8H,2-5,7,12H2,1H3,(H,13,16)
InChIKeyFSXSGBGVNLCKFI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.65
Rot. Bonds4

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

5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63569876) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63569876
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC1CCCN1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H18N4O2/c1-2-8-4-3-5-15(8)7-9-6-10(14-17-9)11(16)13-12/h6,8H,2-5,7,12H2,1H3,(H,13,16)
InChIKeyFSXSGBGVNLCKFI-UHFFFAOYSA-N
XLogP0.65
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 102728790
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63601224
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572215
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63569876) is 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CCC1CCCN1Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is FSXSGBGVNLCKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-4-3-5-15(8)7-9-6-10(14-17-9)11(16)13-12/h6,8H,2-5,7,12H2,1H3,(H,13,16).
What are the key properties of 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63569876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).