2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole

C11H18N2O — CID 59485382

IUPAC2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole
SMILESCC(C)(C)N1CCC[C@H]1c1ncco1
InChIInChI=1S/C11H18N2O/c1-11(2,3)13-7-4-5-9(13)10-12-6-8-14-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1
InChIKeyXZRAEFAGKDPTJK-VIFPVBQESA-N
MW194.28 g/mol
LogP2.61
Rot. Bonds1

About 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole

2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole (PubChem CID 59485382) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole
PubChem CID59485382
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole
SMILESCC(C)(C)N1CCC[C@H]1c1ncco1
InChIInChI=1S/C11H18N2O/c1-11(2,3)13-7-4-5-9(13)10-12-6-8-14-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1
InChIKeyXZRAEFAGKDPTJK-VIFPVBQESA-N
XLogP2.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole (CID 59485382) is 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole is CC(C)(C)N1CCC[C@H]1c1ncco1.
What is the InChIKey of 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is XZRAEFAGKDPTJK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)13-7-4-5-9(13)10-12-6-8-14-10/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole?
2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 194.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-tert-butylpyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 59485382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).