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

C16H27N3O3 — CID 103820989

IUPACtert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCc1noc(C)c1C(C)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O3/c1-10(14-11(2)18-22-12(14)3)17-13-7-8-19(9-13)15(20)21-16(4,5)6/h10,13,17H,7-9H2,1-6H3
InChIKeyOIJOLRCODBQXOE-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.95
Rot. Bonds3

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

tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (PubChem CID 103820989) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
PubChem CID103820989
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCc1noc(C)c1C(C)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O3/c1-10(14-11(2)18-22-12(14)3)17-13-7-8-19(9-13)15(20)21-16(4,5)6/h10,13,17H,7-9H2,1-6H3
InChIKeyOIJOLRCODBQXOE-UHFFFAOYSA-N
XLogP2.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783532
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
tert-butyl (3S)-3-[[(1R)-1-(5-methyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]pyrrolidine-1-carboxylate
CID 99833211
tert-butyl 3-[1-(3,4-dimethylphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239352
tert-butyl 3-[1-(3,5-difluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103783496
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
tert-butyl (3S)-3-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633333
tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate
CID 155388543
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-1-carboxylate
CID 103821019

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (CID 103820989) is tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is Cc1noc(C)c1C(C)NC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The InChIKey is OIJOLRCODBQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-10(14-11(2)18-22-12(14)3)17-13-7-8-19(9-13)15(20)21-16(4,5)6/h10,13,17H,7-9H2,1-6H3.
What are the key properties of tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 2.95, 3 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)ethylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103820989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).