1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one

C10H15N3O2 — CID 115080506

IUPAC1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(CC2CCCN2)no1
InChIInChI=1S/C10H15N3O2/c1-7(14)5-10-12-9(13-15-10)6-8-3-2-4-11-8/h8,11H,2-6H2,1H3
InChIKeyCZVQDYISJBOXQS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.50
Rot. Bonds4

About 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one

1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 115080506) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID115080506
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(CC2CCCN2)no1
InChIInChI=1S/C10H15N3O2/c1-7(14)5-10-12-9(13-15-10)6-8-3-2-4-11-8/h8,11H,2-6H2,1H3
InChIKeyCZVQDYISJBOXQS-UHFFFAOYSA-N
XLogP0.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078262
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081647
1-[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080452
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
1-[3-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080436
1-[5-(piperidin-2-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115094175
1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088645
3-(2-phenoxyethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371729
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
3-[(2-chlorophenyl)methyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 115080506) is 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC(=O)Cc1nc(CC2CCCN2)no1.
What is the InChIKey of 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is CZVQDYISJBOXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(14)5-10-12-9(13-15-10)6-8-3-2-4-11-8/h8,11H,2-6H2,1H3.
What are the key properties of 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 115080506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).