tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate

C16H20N4O3 — CID 69107730

IUPACtert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc(-c2ncccn2)no1
InChIInChI=1S/C16H20N4O3/c1-16(2,3)22-15(21)20-9-4-6-12(20)13-10-11(19-23-13)14-17-7-5-8-18-14/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyDDLCUPVLNWLMJX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 69107730) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID69107730
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nametert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc(-c2ncccn2)no1
InChIInChI=1S/C16H20N4O3/c1-16(2,3)22-15(21)20-9-4-6-12(20)13-10-11(19-23-13)14-17-7-5-8-18-14/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyDDLCUPVLNWLMJX-UHFFFAOYSA-N
XLogP3.20
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate (CID 69107730) is tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cc(-c2ncccn2)no1.
What is the InChIKey of tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is DDLCUPVLNWLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,3)22-15(21)20-9-4-6-12(20)13-10-11(19-23-13)14-17-7-5-8-18-14/h5,7-8,10,12H,4,6,9H2,1-3H3.
What are the key properties of tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 69107730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).