4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one

C8H13N3O2 — CID 115016435

IUPAC4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one
SMILESCn1c(CC2CCNC2)noc1=O
InChIInChI=1S/C8H13N3O2/c1-11-7(10-13-8(11)12)4-6-2-3-9-5-6/h6,9H,2-5H2,1H3
InChIKeyLNOPJKSVQYSYCS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.47
Rot. Bonds2

About 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one

4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one (PubChem CID 115016435) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one
PubChem CID115016435
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one
SMILESCn1c(CC2CCNC2)noc1=O
InChIInChI=1S/C8H13N3O2/c1-11-7(10-13-8(11)12)4-6-2-3-9-5-6/h6,9H,2-5H2,1H3
InChIKeyLNOPJKSVQYSYCS-UHFFFAOYSA-N
XLogP-0.47
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
1-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 115077275
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-one
CID 115077243
4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84634258
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858069
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
CID 90488069
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one (CID 115016435) is 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one is Cn1c(CC2CCNC2)noc1=O.
What is the InChIKey of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is LNOPJKSVQYSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-7(10-13-8(11)12)4-6-2-3-9-5-6/h6,9H,2-5H2,1H3.
What are the key properties of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one?
4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 115016435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).