N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C12H18N4O3 — CID 104971411

IUPACN-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC1(NC(=O)c2noc(C3CCCN3)n2)CCOC1
InChIInChI=1S/C12H18N4O3/c1-12(4-6-18-7-12)15-10(17)9-14-11(19-16-9)8-3-2-5-13-8/h8,13H,2-7H2,1H3,(H,15,17)
InChIKeyVGUOBAYLZBMOAV-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.40
Rot. Bonds3

About N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971411) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971411
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC1(NC(=O)c2noc(C3CCCN3)n2)CCOC1
InChIInChI=1S/C12H18N4O3/c1-12(4-6-18-7-12)15-10(17)9-14-11(19-16-9)8-3-2-5-13-8/h8,13H,2-7H2,1H3,(H,15,17)
InChIKeyVGUOBAYLZBMOAV-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971411) is N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC1(NC(=O)c2noc(C3CCCN3)n2)CCOC1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VGUOBAYLZBMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(4-6-18-7-12)15-10(17)9-14-11(19-16-9)8-3-2-5-13-8/h8,13H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).