5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole

C10H16N2O — CID 10241411

IUPAC5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2C[C@@H](C)CN2C)on1
InChIInChI=1S/C10H16N2O/c1-7-4-9(12(3)6-7)10-5-8(2)11-13-10/h5,7,9H,4,6H2,1-3H3/t7-,9+/m1/s1
InChIKeyJYWNONAQSBRXSV-APPZFPTMSA-N
MW180.25 g/mol
LogP2.00
Rot. Bonds1

About 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 10241411) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID10241411
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2C[C@@H](C)CN2C)on1
InChIInChI=1S/C10H16N2O/c1-7-4-9(12(3)6-7)10-5-8(2)11-13-10/h5,7,9H,4,6H2,1-3H3/t7-,9+/m1/s1
InChIKeyJYWNONAQSBRXSV-APPZFPTMSA-N
XLogP2.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 10241411) is 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is Cc1cc([C@@H]2C[C@@H](C)CN2C)on1.
What is the InChIKey of 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is JYWNONAQSBRXSV-APPZFPTMSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-9(12(3)6-7)10-5-8(2)11-13-10/h5,7,9H,4,6H2,1-3H3/t7-,9+/m1/s1.
What are the key properties of 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 10241411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).