tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate

C17H23N3O3 — CID 71629873

IUPACtert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-10-8-12(9-11-20)18-15-19-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyGTEYINWFJYWEHC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate

tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate (PubChem CID 71629873) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
PubChem CID71629873
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-10-8-12(9-11-20)18-15-19-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyGTEYINWFJYWEHC-UHFFFAOYSA-N
XLogP3.64
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
tert-butyl 4-[(1,3-benzoxazol-2-ylamino)methyl]piperidine-1-carboxylate
CID 71630205
tert-butyl 4-(1,3-benzoxazol-2-ylsulfinyl)piperidine-1-carboxylate
CID 71630000
tert-butyl 4-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylate
CID 66912098
tert-butyl 3-[(5-nitro-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629655
tert-butyl 4-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 71630334
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
tert-butyl 3-[1,3-benzoxazol-2-yl(methyl)amino]pyrrolidine-1-carboxylate
CID 71647127
tert-butyl 4-[[3-(1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 178159522
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605340

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate (CID 71629873) is tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3o2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate?
The InChIKey is GTEYINWFJYWEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-10-8-12(9-11-20)18-15-19-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71629873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).