tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate

C19H26N2O4 — CID 97173355

IUPACtert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nc2ccccc2o1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(22)21-12-7-6-8-14(21)11-13-23-17-20-15-9-4-5-10-16(15)24-17/h4-5,9-10,14H,6-8,11-13H2,1-3H3/t14-/m0/s1
InChIKeyAWDNVCGCMRXOPQ-AWEZNQCLSA-N
MW346.43 g/mol
LogP4.39
Rot. Bonds4

About tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate (PubChem CID 97173355) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
PubChem CID97173355
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nc2ccccc2o1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(22)21-12-7-6-8-14(21)11-13-23-17-20-15-9-4-5-10-16(15)24-17/h4-5,9-10,14H,6-8,11-13H2,1-3H3/t14-/m0/s1
InChIKeyAWDNVCGCMRXOPQ-AWEZNQCLSA-N
XLogP4.39
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173354
tert-butyl 2-[3-(1,3-benzoxazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631579
tert-butyl (2R)-2-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 97173629
tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173356
tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 71631632
tert-butyl (3S)-3-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 97172434
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304
tert-butyl 4-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 71630334
tert-butyl (2S)-2-[(5-nitro-1,3-benzoxazol-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173584
tert-butyl (2R)-2-[2-(4-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 97173318
tert-butyl 2-[2-(1,2-benzothiazol-3-yloxy)ethyl]piperidine-1-carboxylate
CID 71631638
tert-butyl 2-[(quinolin-2-ylamino)methyl]piperidine-1-carboxylate
CID 86593668

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate (CID 97173355) is tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nc2ccccc2o1.
What is the InChIKey of tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate?
The InChIKey is AWDNVCGCMRXOPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)25-18(22)21-12-7-6-8-14(21)11-13-23-17-20-15-9-4-5-10-16(15)24-17/h4-5,9-10,14H,6-8,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 97173355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).