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

C8H12N2O2 — CID 62329112

IUPAC5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole
SMILESc1cc(COC2CCNC2)on1
InChIInChI=1S/C8H12N2O2/c1-3-9-5-7(1)11-6-8-2-4-10-12-8/h2,4,7,9H,1,3,5-6H2
InChIKeyVCVFFPOTJIQFQG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds3

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

5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole (PubChem CID 62329112) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole
PubChem CID62329112
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole
SMILESc1cc(COC2CCNC2)on1
InChIInChI=1S/C8H12N2O2/c1-3-9-5-7(1)11-6-8-2-4-10-12-8/h2,4,7,9H,1,3,5-6H2
InChIKeyVCVFFPOTJIQFQG-UHFFFAOYSA-N
XLogP0.55
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1,2-oxazol-5-ylmethyl N-methylcarbamate
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5-(Piperidin-4-yloxymethyl)-1,2-oxazole
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5-(Piperidin-3-yloxymethyl)-1,2-oxazole
CID 62328008
5-(Pyrrolidin-2-ylmethoxymethyl)-1,2-oxazole
CID 62333036
N-methyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine
CID 62335872
N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine
CID 62335930
N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine
CID 62337218
N-methyl-2-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 62337983
4-[(5-Isoxazolylmethoxy)methyl]piperidine
CID 62338871

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
The IUPAC name of 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole (CID 62329112) is 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole is c1cc(COC2CCNC2)on1.
What is the InChIKey of 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
The InChIKey is VCVFFPOTJIQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-9-5-7(1)11-6-8-2-4-10-12-8/h2,4,7,9H,1,3,5-6H2.
What are the key properties of 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole?
5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole has a molecular weight of 168.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 62329112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).