5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole

C9H15N3O2 — CID 129493408

IUPAC5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCOCc1nc([C@@H]2CCNC2)no1
InChIInChI=1S/C9H15N3O2/c1-2-13-6-8-11-9(12-14-8)7-3-4-10-5-7/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyMAEFGYHUXFWFLI-SSDOTTSWSA-N
MW197.24 g/mol
LogP0.68
Rot. Bonds4

About 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole

5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 129493408) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID129493408
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCOCc1nc([C@@H]2CCNC2)no1
InChIInChI=1S/C9H15N3O2/c1-2-13-6-8-11-9(12-14-8)7-3-4-10-5-7/h7,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyMAEFGYHUXFWFLI-SSDOTTSWSA-N
XLogP0.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 86820513
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 146064666
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102954079
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 82652996
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025608
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 129493408) is 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is CCOCc1nc([C@@H]2CCNC2)no1.
What is the InChIKey of 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is MAEFGYHUXFWFLI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-13-6-8-11-9(12-14-8)7-3-4-10-5-7/h7,10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 197.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129493408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).