5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C14H24N4O2 — CID 63572215

IUPAC5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)C1CCN(Cc2cc(C(=O)NN)no2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)10-4-6-18(7-5-10)9-11-8-12(17-20-11)13(19)16-15/h8,10H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeyXFBMLSSJNNMQGM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.54
Rot. Bonds3

About 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63572215) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63572215
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)C1CCN(Cc2cc(C(=O)NN)no2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)10-4-6-18(7-5-10)9-11-8-12(17-20-11)13(19)16-15/h8,10H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeyXFBMLSSJNNMQGM-UHFFFAOYSA-N
XLogP1.54
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.54
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-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 103540516
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572291
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918
5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 107408898
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 102728790
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 79507342
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
[5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62438397
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63572215) is 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CC(C)(C)C1CCN(Cc2cc(C(=O)NN)no2)CC1.
What is the InChIKey of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is XFBMLSSJNNMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)10-4-6-18(7-5-10)9-11-8-12(17-20-11)13(19)16-15/h8,10H,4-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylpiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63572215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).