2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole

C13H22N2O — CID 59611008

IUPAC2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole
SMILESCC(C)[C@@H]1C[C@H](c2ncco2)CN1C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)12-7-11(8-15(12)10(3)4)13-14-5-6-16-13/h5-6,9-12H,7-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyGMTWDOIOESHBEI-RYUDHWBXSA-N
MW222.33 g/mol
LogP2.90
Rot. Bonds3

About 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole

2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole (PubChem CID 59611008) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole
PubChem CID59611008
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole
SMILESCC(C)[C@@H]1C[C@H](c2ncco2)CN1C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)12-7-11(8-15(12)10(3)4)13-14-5-6-16-13/h5-6,9-12H,7-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyGMTWDOIOESHBEI-RYUDHWBXSA-N
XLogP2.90
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole?
The IUPAC name of 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole (CID 59611008) is 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole is CC(C)[C@@H]1C[C@H](c2ncco2)CN1C(C)C.
What is the InChIKey of 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole?
The InChIKey is GMTWDOIOESHBEI-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)12-7-11(8-15(12)10(3)4)13-14-5-6-16-13/h5-6,9-12H,7-8H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole?
2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 222.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 59611008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).