tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate

C18H22N2O3S — CID 66709326

IUPACtert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=Cc2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)22-17(21)20-8-6-13(7-9-20)11-14-12-15(23-19-14)16-5-4-10-24-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPXYFZGQOQRPOBS-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.82
Rot. Bonds2

About tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate

tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate (PubChem CID 66709326) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate
PubChem CID66709326
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Nametert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=Cc2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)22-17(21)20-8-6-13(7-9-20)11-14-12-15(23-19-14)16-5-4-10-24-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPXYFZGQOQRPOBS-UHFFFAOYSA-N
XLogP4.82
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[3,7-dioxo-7-(5-thiophen-2-yl-1,2-oxazol-3-yl)heptyl]piperazine-1-carboxylate
CID 160563650
tert-butyl 4-[(3-aminophenyl)methylidene]piperidine-1-carboxylate
CID 166025750
tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 68777852
tert-butyl 4-[(5-cyano-2-pyridinyl)methylidene]piperidine-1-carboxylate
CID 163385544
1-O-tert-butyl 4-O-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,4-dicarboxylate
CID 8924701
tert-butyl 4-butylidenepiperidine-1-carboxylate
CID 22970158
tert-butyl 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate
CID 78903563
tert-butyl 4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
CID 46532994
tert-butyl (3Z)-3-(1,3-thiazol-4-ylmethylidene)pyrrolidine-1-carboxylate;ethane
CID 144843928
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
CID 15851801

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate (CID 66709326) is tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=Cc2cc(-c3cccs3)on2)CC1.
What is the InChIKey of tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate?
The InChIKey is PXYFZGQOQRPOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(2,3)22-17(21)20-8-6-13(7-9-20)11-14-12-15(23-19-14)16-5-4-10-24-16/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate?
tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate has a molecular weight of 346.45 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate is sourced from PubChem (CID 66709326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).