furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone

C16H18N6O3 — CID 91892256

IUPACfuran-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1
InChIInChI=1S/C16H18N6O3/c1-10(2)14-17-15(25-19-14)13-8-22(20-18-13)12-3-5-21(7-12)16(23)11-4-6-24-9-11/h4,6,8-10,12H,3,5,7H2,1-2H3
InChIKeySZQZHASKFUHIQP-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.13
Rot. Bonds4

About furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone

furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 91892256) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
PubChem CID91892256
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Namefuran-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1
InChIInChI=1S/C16H18N6O3/c1-10(2)14-17-15(25-19-14)13-8-22(20-18-13)12-3-5-21(7-12)16(23)11-4-6-24-9-11/h4,6,8-10,12H,3,5,7H2,1-2H3
InChIKeySZQZHASKFUHIQP-UHFFFAOYSA-N
XLogP2.13
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone (CID 91892256) is furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone is CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1.
What is the InChIKey of furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is SZQZHASKFUHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-10(2)14-17-15(25-19-14)13-8-22(20-18-13)12-3-5-21(7-12)16(23)11-4-6-24-9-11/h4,6,8-10,12H,3,5,7H2,1-2H3.
What are the key properties of furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 342.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91892256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).