2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole

C11H18N2O — CID 67522562

IUPAC2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole
SMILESCC(C)N1C[C@@H](c2ncco2)C[C@H]1C
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-10(6-9(13)3)11-12-4-5-14-11/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyWBEDWNCAWWFPLB-ZJUUUORDSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds2

About 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole

2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole (PubChem CID 67522562) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole
PubChem CID67522562
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole
SMILESCC(C)N1C[C@@H](c2ncco2)C[C@H]1C
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-10(6-9(13)3)11-12-4-5-14-11/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyWBEDWNCAWWFPLB-ZJUUUORDSA-N
XLogP2.26
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole?
The IUPAC name of 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole (CID 67522562) is 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole is CC(C)N1C[C@@H](c2ncco2)C[C@H]1C.
What is the InChIKey of 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole?
The InChIKey is WBEDWNCAWWFPLB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-7-10(6-9(13)3)11-12-4-5-14-11/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole?
2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 194.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-5-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 67522562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).