5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile

C12H13N5O2 — CID 106527573

IUPAC5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile
SMILESCc1onc(Cc2nc(N3CCCC3)no2)c1C#N
InChIInChI=1S/C12H13N5O2/c1-8-9(7-13)10(15-18-8)6-11-14-12(16-19-11)17-4-2-3-5-17/h2-6H2,1H3
InChIKeyNLASBOJXKBSKEA-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.43
Rot. Bonds3

About 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile

5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile (PubChem CID 106527573) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile
PubChem CID106527573
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile
SMILESCc1onc(Cc2nc(N3CCCC3)no2)c1C#N
InChIInChI=1S/C12H13N5O2/c1-8-9(7-13)10(15-18-8)6-11-14-12(16-19-11)17-4-2-3-5-17/h2-6H2,1H3
InChIKeyNLASBOJXKBSKEA-UHFFFAOYSA-N
XLogP1.43
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile (CID 106527573) is 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile is Cc1onc(Cc2nc(N3CCCC3)no2)c1C#N.
What is the InChIKey of 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile?
The InChIKey is NLASBOJXKBSKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8-9(7-13)10(15-18-8)6-11-14-12(16-19-11)17-4-2-3-5-17/h2-6H2,1H3.
What are the key properties of 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile?
5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile has a molecular weight of 259.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 106527573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).