tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate

C19H26N2O4 — CID 156708870

IUPACtert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3[nH]c(=O)oc3c2)CC1(C)C
InChIInChI=1S/C19H26N2O4/c1-18(2,3)25-17(23)21-9-8-13(11-19(21,4)5)12-6-7-14-15(10-12)24-16(22)20-14/h6-7,10,13H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyLZVLMPAGUICSFO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.01
Rot. Bonds1

About tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate

tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate (PubChem CID 156708870) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
PubChem CID156708870
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3[nH]c(=O)oc3c2)CC1(C)C
InChIInChI=1S/C19H26N2O4/c1-18(2,3)25-17(23)21-9-8-13(11-19(21,4)5)12-6-7-14-15(10-12)24-16(22)20-14/h6-7,10,13H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyLZVLMPAGUICSFO-UHFFFAOYSA-N
XLogP4.01
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate
CID 110608133
tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
CID 137439609
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956
tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 166116816
tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
CID 156708923
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
tert-butyl 4-[3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 147015714
tert-butyl 4-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate
CID 172644335
tert-butyl 4-(6-cyclopropyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 58548451
tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
CID 169178838
tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
CID 156708848
tert-butyl 4-(3-bromo-5-methylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate
CID 178145128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate (CID 156708870) is tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate?
The InChIKey is LZVLMPAGUICSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-18(2,3)25-17(23)21-9-8-13(11-19(21,4)5)12-6-7-14-15(10-12)24-16(22)20-14/h6-7,10,13H,8-9,11H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate?
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156708870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).