5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide

C12H18N4O3 — CID 102703487

IUPAC5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2nnc(C3CCCN3)o2)CO1
InChIInChI=1S/C12H18N4O3/c1-7-5-8(6-18-7)10(17)14-12-16-15-11(19-12)9-3-2-4-13-9/h7-9,13H,2-6H2,1H3,(H,14,16,17)
InChIKeyGVBCUUIILIBSQL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.86
Rot. Bonds3

About 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide

5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide (PubChem CID 102703487) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide
PubChem CID102703487
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2nnc(C3CCCN3)o2)CO1
InChIInChI=1S/C12H18N4O3/c1-7-5-8(6-18-7)10(17)14-12-16-15-11(19-12)9-3-2-4-13-9/h7-9,13H,2-6H2,1H3,(H,14,16,17)
InChIKeyGVBCUUIILIBSQL-UHFFFAOYSA-N
XLogP0.86
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 102703484
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703433
1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703621
2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 102703341
2-ethoxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703310
3-pyrrolidin-1-yl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 102703544
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703455
3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703119
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332
1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
CID 102703303

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide (CID 102703487) is 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide is CC1CC(C(=O)Nc2nnc(C3CCCN3)o2)CO1.
What is the InChIKey of 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is GVBCUUIILIBSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-5-8(6-18-7)10(17)14-12-16-15-11(19-12)9-3-2-4-13-9/h7-9,13H,2-6H2,1H3,(H,14,16,17).
What are the key properties of 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide?
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 102703487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).