tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate

C18H22N2O5 — CID 156708923

IUPACtert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
SMILESCn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(=O)C3)ccc21
InChIInChI=1S/C18H22N2O5/c1-18(2,3)25-17(23)20-8-7-12(10-15(20)21)11-5-6-13-14(9-11)24-16(22)19(13)4/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyCGAJSBUFLZMGRA-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.77
Rot. Bonds1

About tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate

tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate (PubChem CID 156708923) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
PubChem CID156708923
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nametert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate
SMILESCn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(=O)C3)ccc21
InChIInChI=1S/C18H22N2O5/c1-18(2,3)25-17(23)20-8-7-12(10-15(20)21)11-5-6-13-14(9-11)24-16(22)19(13)4/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyCGAJSBUFLZMGRA-UHFFFAOYSA-N
XLogP2.77
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-6-yl]piperidine-1-carboxylate
CID 156708848
tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
CID 102457240
2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
CID 175750263
tert-butyl 4-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate
CID 171624590
tert-butyl 4-(4-fluorophenyl)-2-oxopyrrolidine-1-carboxylate
CID 21350374
tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-1-carboxylate
CID 146172706
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 156708870
methyl 1,3-dimethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-2-carboxylate
CID 118378615
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate
CID 171506595
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
tert-butyl 4-[(6-bromo-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazine-1-carboxylate
CID 36697542

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate (CID 156708923) is tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate is Cn1c(=O)oc2cc(C3CCN(C(=O)OC(C)(C)C)C(=O)C3)ccc21.
What is the InChIKey of tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate?
The InChIKey is CGAJSBUFLZMGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2,3)25-17(23)20-8-7-12(10-15(20)21)11-5-6-13-14(9-11)24-16(22)19(13)4/h5-6,9,12H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate?
tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 156708923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).