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

C18H31N3O3 — CID 84597373

IUPACtert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
SMILESCc1noc(C)c1CC(C)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H31N3O3/c1-12(10-16-13(2)20-24-14(16)3)19-15-8-7-9-21(11-15)17(22)23-18(4,5)6/h12,15,19H,7-11H2,1-6H3
InChIKeyGJFKJVILRZEUME-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.21
Rot. Bonds4

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

tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate (PubChem CID 84597373) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
PubChem CID84597373
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
SMILESCc1noc(C)c1CC(C)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H31N3O3/c1-12(10-16-13(2)20-24-14(16)3)19-15-8-7-9-21(11-15)17(22)23-18(4,5)6/h12,15,19H,7-11H2,1-6H3
InChIKeyGJFKJVILRZEUME-UHFFFAOYSA-N
XLogP3.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
CID 155388543
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103820989
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 107241518
tert-butyl 3-(octan-2-ylamino)azepane-1-carboxylate
CID 107249375
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate (CID 84597373) is tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate is Cc1noc(C)c1CC(C)NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate?
The InChIKey is GJFKJVILRZEUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12(10-16-13(2)20-24-14(16)3)19-15-8-7-9-21(11-15)17(22)23-18(4,5)6/h12,15,19H,7-11H2,1-6H3.
What are the key properties of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate?
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate is sourced from PubChem (CID 84597373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).