[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

C16H25N3O5 — CID 166651867

IUPAC[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCC1=NOC(C)(C(=O)ON=C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H25N3O5/c1-11-10-16(5,24-17-11)13(20)23-18-12-6-8-19(9-7-12)14(21)22-15(2,3)4/h6-10H2,1-5H3
InChIKeyPRHWHAUQEHARST-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.47
Rot. Bonds2

About [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 166651867) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
PubChem CID166651867
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCC1=NOC(C)(C(=O)ON=C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H25N3O5/c1-11-10-16(5,24-17-11)13(20)23-18-12-6-8-19(9-7-12)14(21)22-15(2,3)4/h6-10H2,1-5H3
InChIKeyPRHWHAUQEHARST-UHFFFAOYSA-N
XLogP2.47
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate with MolForge

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Related Compounds

methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674
[(E)-butylideneamino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 166651434
tert-butyl 4-(methylhydrazinylidene)piperidine-1-carboxylate
CID 59463664
CID 88986772
CID 88986772
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
tert-butyl 2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-6-carboxylate
CID 131168226
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 4-(iodosulfanylhydrazinylidene)piperidine-1-carboxylate
CID 145358824

Frequently Asked Questions

What is the IUPAC name of [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (CID 166651867) is [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is CC1=NOC(C)(C(=O)ON=C2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is PRHWHAUQEHARST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-11-10-16(5,24-17-11)13(20)23-18-12-6-8-19(9-7-12)14(21)22-15(2,3)4/h6-10H2,1-5H3.
What are the key properties of [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]amino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 166651867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).