3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole

C10H16N2O2 — CID 62328952

IUPAC3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole
SMILESCc1noc(C)c1COC1CCNC1
InChIInChI=1S/C10H16N2O2/c1-7-10(8(2)14-12-7)6-13-9-3-4-11-5-9/h9,11H,3-6H2,1-2H3
InChIKeyLXZZSHUNASWVTN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.17
Rot. Bonds3

About 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole

3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole (PubChem CID 62328952) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole
PubChem CID62328952
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole
SMILESCc1noc(C)c1COC1CCNC1
InChIInChI=1S/C10H16N2O2/c1-7-10(8(2)14-12-7)6-13-9-3-4-11-5-9/h9,11H,3-6H2,1-2H3
InChIKeyLXZZSHUNASWVTN-UHFFFAOYSA-N
XLogP1.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole (CID 62328952) is 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole is Cc1noc(C)c1COC1CCNC1.
What is the InChIKey of 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
The InChIKey is LXZZSHUNASWVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-10(8(2)14-12-7)6-13-9-3-4-11-5-9/h9,11H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole has a molecular weight of 196.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyrrolidin-3-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 62328952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).