2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine

C54H94N6O3S — CID 158763083

IUPAC2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](C2CCCO2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2ccco2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2cncs2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2ncco2)CN1C(C)C
InChIInChI=1S/C14H27NO.C14H23NO.C13H22N2O.C13H22N2S/c2*1-10(2)13-8-12(9-15(13)11(3)4)14-6-5-7-16-14;1-9(2)12-7-11(8-15(12)10(3)4)13-14-5-6-16-13;1-9(2)12-5-11(7-15(12)10(3)4)13-6-14-8-16-13/h10-14H,5-9H2,1-4H3;5-7,10-13H,8-9H2,1-4H3;5-6,9-12H,7-8H2,1-4H3;6,8-12H,5,7H2,1-4H3/t12-,13-,14?;12-,13-;2*11-,12-/m0000/s1
InChIKeyIOXLFQLHTATQSR-CQVQUAGHSA-N
MW907.45 g/mol
LogP12.68
Rot. Bonds12

About 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine

2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 158763083) has the molecular formula C54H94N6O3S and a molecular weight of 907.45 g/mol. Its IUPAC name is 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID158763083
Molecular FormulaC54H94N6O3S
Molecular Weight907.45 g/mol
Exact Mass906.71
IUPAC Name2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](C2CCCO2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2ccco2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2cncs2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2ncco2)CN1C(C)C
InChIInChI=1S/C14H27NO.C14H23NO.C13H22N2O.C13H22N2S/c2*1-10(2)13-8-12(9-15(13)11(3)4)14-6-5-7-16-14;1-9(2)12-7-11(8-15(12)10(3)4)13-14-5-6-16-13;1-9(2)12-5-11(7-15(12)10(3)4)13-6-14-8-16-13/h10-14H,5-9H2,1-4H3;5-7,10-13H,8-9H2,1-4H3;5-6,9-12H,7-8H2,1-4H3;6,8-12H,5,7H2,1-4H3/t12-,13-,14?;12-,13-;2*11-,12-/m0000/s1
InChIKeyIOXLFQLHTATQSR-CQVQUAGHSA-N
XLogP12.68
TPSA74.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.45
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine with MolForge

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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;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine (CID 158763083) is 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1C[C@H](C2CCCO2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2ccco2)CN1C(C)C.CC(C)[C@@H]1C[C@H](c2cncs2)CN1C(C)C.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;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is IOXLFQLHTATQSR-CQVQUAGHSA-N. The full InChI is InChI=1S/C14H27NO.C14H23NO.C13H22N2O.C13H22N2S/c2*1-10(2)13-8-12(9-15(13)11(3)4)14-6-5-7-16-14;1-9(2)12-7-11(8-15(12)10(3)4)13-14-5-6-16-13;1-9(2)12-5-11(7-15(12)10(3)4)13-6-14-8-16-13/h10-14H,5-9H2,1-4H3;5-7,10-13H,8-9H2,1-4H3;5-6,9-12H,7-8H2,1-4H3;6,8-12H,5,7H2,1-4H3/t12-,13-,14?;12-,13-;2*11-,12-/m0000/s1.
What are the key properties of 2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 907.45 g/mol, XLogP of 12.68, 12 rotatable bonds, 0 hydrogen bond donors, and 10 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;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 158763083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).