3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole

C10H16N2O2 — CID 62371586

IUPAC3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
SMILESCc1cc(COCC2CCNC2)on1
InChIInChI=1S/C10H16N2O2/c1-8-4-10(14-12-8)7-13-6-9-2-3-11-5-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyMNNBDDANNNDTNV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.11
Rot. Bonds4

About 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole

3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole (PubChem CID 62371586) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
PubChem CID62371586
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole
SMILESCc1cc(COCC2CCNC2)on1
InChIInChI=1S/C10H16N2O2/c1-8-4-10(14-12-8)7-13-6-9-2-3-11-5-9/h4,9,11H,2-3,5-7H2,1H3
InChIKeyMNNBDDANNNDTNV-UHFFFAOYSA-N
XLogP1.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole (CID 62371586) is 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole is Cc1cc(COCC2CCNC2)on1.
What is the InChIKey of 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole?
The InChIKey is MNNBDDANNNDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-4-10(14-12-8)7-13-6-9-2-3-11-5-9/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole?
3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole has a molecular weight of 196.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyrrolidin-3-ylmethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 62371586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).