tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate

C15H25N3O3 — CID 155388543

IUPACtert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
SMILESCc1noc(NC2CCCN(C(=O)OC(C)(C)C)C2)c1C
InChIInChI=1S/C15H25N3O3/c1-10-11(2)17-21-13(10)16-12-7-6-8-18(9-12)14(19)20-15(3,4)5/h12,16H,6-9H2,1-5H3
InChIKeyQKUCKZXJMFDICN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate

tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 155388543) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID155388543
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
SMILESCc1noc(NC2CCCN(C(=O)OC(C)(C)C)C2)c1C
InChIInChI=1S/C15H25N3O3/c1-10-11(2)17-21-13(10)16-12-7-6-8-18(9-12)14(19)20-15(3,4)5/h12,16H,6-9H2,1-5H3
InChIKeyQKUCKZXJMFDICN-UHFFFAOYSA-N
XLogP3.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl 3-(4-bromo-3,5-dimethylanilino)piperidine-1-carboxylate
CID 107572267
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl 3-(3-chloro-2-methylanilino)piperidine-1-carboxylate
CID 103648698
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103820989
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate (CID 155388543) is tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate is Cc1noc(NC2CCCN(C(=O)OC(C)(C)C)C2)c1C.
What is the InChIKey of tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is QKUCKZXJMFDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-11(2)17-21-13(10)16-12-7-6-8-18(9-12)14(19)20-15(3,4)5/h12,16H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 155388543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).