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

C12H21N5O2 — CID 63577918

IUPAC5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCNCC1CCCN(Cc2cc(C(=O)NN)no2)C1
InChIInChI=1S/C12H21N5O2/c1-14-6-9-3-2-4-17(7-9)8-10-5-11(16-19-10)12(18)15-13/h5,9,14H,2-4,6-8,13H2,1H3,(H,15,18)
InChIKeyBKWZIELXRJJWOA-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.29
Rot. Bonds5

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

5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63577918) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63577918
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCNCC1CCCN(Cc2cc(C(=O)NN)no2)C1
InChIInChI=1S/C12H21N5O2/c1-14-6-9-3-2-4-17(7-9)8-10-5-11(16-19-10)12(18)15-13/h5,9,14H,2-4,6-8,13H2,1H3,(H,15,18)
InChIKeyBKWZIELXRJJWOA-UHFFFAOYSA-N
XLogP-0.29
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 103540516
N-methyl-1-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119914598
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572215
5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 80733651
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
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
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572291
6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 106904012

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide (CID 63577918) is 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide is CNCC1CCCN(Cc2cc(C(=O)NN)no2)C1.
What is the InChIKey of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is BKWZIELXRJJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-14-6-9-3-2-4-17(7-9)8-10-5-11(16-19-10)12(18)15-13/h5,9,14H,2-4,6-8,13H2,1H3,(H,15,18).
What are the key properties of 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63577918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).