tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate

C16H26N2O3 — CID 129096337

IUPACtert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1nc(C(C)(C)C)co1
InChIInChI=1S/C16H26N2O3/c1-15(2,3)12-10-20-13(17-12)11-8-7-9-18(11)14(19)21-16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyJFRCGJLWKDYYQS-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 129096337) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID129096337
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1nc(C(C)(C)C)co1
InChIInChI=1S/C16H26N2O3/c1-15(2,3)12-10-20-13(17-12)11-8-7-9-18(11)14(19)21-16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyJFRCGJLWKDYYQS-UHFFFAOYSA-N
XLogP4.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (CID 129096337) is tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1nc(C(C)(C)C)co1.
What is the InChIKey of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is JFRCGJLWKDYYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-15(2,3)12-10-20-13(17-12)11-8-7-9-18(11)14(19)21-16(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129096337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).