tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate

C20H23N3O5 — CID 137439609

IUPACtert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4oc(=O)[nH]c4c3)on2)CC1
InChIInChI=1S/C20H23N3O5/c1-20(2,3)27-19(25)23-8-6-12(7-9-23)14-11-17(28-22-14)13-4-5-16-15(10-13)21-18(24)26-16/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyHYWWWIDBQFWXEP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439609) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
PubChem CID137439609
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nametert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4oc(=O)[nH]c4c3)on2)CC1
InChIInChI=1S/C20H23N3O5/c1-20(2,3)27-19(25)23-8-6-12(7-9-23)14-11-17(28-22-14)13-4-5-16-15(10-13)21-18(24)26-16/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyHYWWWIDBQFWXEP-UHFFFAOYSA-N
XLogP3.89
TPSA101.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
CID 67622141
tert-butyl 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]piperidine-1-carboxylate
CID 110608133
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 156708870
tert-butyl 4-[5-[6-bromo-4-(propan-2-ylamino)quinolin-3-yl]-1,2-oxazol-3-yl]piperidine-1-carboxylate
CID 155781961
tert-butyl 4-[5-[(2,2-difluoroethylamino)methyl]-1,2-oxazol-3-yl]piperidine-1-carboxylate
CID 126824579
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate (CID 137439609) is tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc4oc(=O)[nH]c4c3)on2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate?
The InChIKey is HYWWWIDBQFWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-20(2,3)27-19(25)23-8-6-12(7-9-23)14-11-17(28-22-14)13-4-5-16-15(10-13)21-18(24)26-16/h4-5,10-12H,6-9H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,2-oxazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).