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

C16H20N4O3 — CID 69108207

IUPACtert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1cc(-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/t12-/m0/s1
InChIKeyDDLCUPVLNWLMJX-LBPRGKRZSA-N
MW316.36 g/mol
LogP3.20
Rot. Bonds2

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

tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 69108207) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID69108207
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nametert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1cc(-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/t12-/m0/s1
InChIKeyDDLCUPVLNWLMJX-LBPRGKRZSA-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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Related Compounds

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CID 86299679
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CID 128973693
CID 128973693
CID 128973705
CID 128973705
CID 128973793
CID 128973793
CID 128974750
CID 128974750
CID 128994764
CID 128994764
CID 132381677
CID 132381677
CID 132381683
CID 132381683
CID 154568816
CID 154568816

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate (CID 69108207) is tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(-c2ncccn2)no1.
What is the InChIKey of tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is DDLCUPVLNWLMJX-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-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 (2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 69108207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).