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

C10H16N2O — CID 130627698

IUPAC4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCC1CCC(C)N1Cc1cocn1
InChIInChI=1S/C10H16N2O/c1-8-3-4-9(2)12(8)5-10-6-13-7-11-10/h6-9H,3-5H2,1-2H3
InChIKeyISRDVEFFNOZFGP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds2

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

4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole (PubChem CID 130627698) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole
PubChem CID130627698
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCC1CCC(C)N1Cc1cocn1
InChIInChI=1S/C10H16N2O/c1-8-3-4-9(2)12(8)5-10-6-13-7-11-10/h6-9H,3-5H2,1-2H3
InChIKeyISRDVEFFNOZFGP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole (CID 130627698) is 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole is CC1CCC(C)N1Cc1cocn1.
What is the InChIKey of 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is ISRDVEFFNOZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-4-9(2)12(8)5-10-6-13-7-11-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole?
4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 130627698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).