3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole

C10H16N2O — CID 10103768

IUPAC3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2C)on1
InChIInChI=1S/C10H16N2O/c1-3-8-7-10(13-11-8)9-5-4-6-12(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyPPTOVEPVLPTJKI-SECBINFHSA-N
MW180.25 g/mol
LogP2.00
Rot. Bonds2

About 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole

3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 10103768) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID10103768
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2C)on1
InChIInChI=1S/C10H16N2O/c1-3-8-7-10(13-11-8)9-5-4-6-12(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyPPTOVEPVLPTJKI-SECBINFHSA-N
XLogP2.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole (CID 10103768) is 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole is CCc1cc([C@H]2CCCN2C)on1.
What is the InChIKey of 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is PPTOVEPVLPTJKI-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8-7-10(13-11-8)9-5-4-6-12(9)2/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 10103768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).