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

C16H16N6O3 — CID 91892297

IUPAC[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C16H16N6O3/c23-16(11-4-6-24-9-11)21-5-3-12(7-21)22-8-13(18-20-22)15-17-14(19-25-15)10-1-2-10/h4,6,8-10,12H,1-3,5,7H2
InChIKeyWOUCSFNTHIFUTA-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.89
Rot. Bonds4

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

[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 91892297) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID91892297
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C16H16N6O3/c23-16(11-4-6-24-9-11)21-5-3-12(7-21)22-8-13(18-20-22)15-17-14(19-25-15)10-1-2-10/h4,6,8-10,12H,1-3,5,7H2
InChIKeyWOUCSFNTHIFUTA-UHFFFAOYSA-N
XLogP1.89
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone (CID 91892297) is [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)C1.
What is the InChIKey of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is WOUCSFNTHIFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-16(11-4-6-24-9-11)21-5-3-12(7-21)22-8-13(18-20-22)15-17-14(19-25-15)10-1-2-10/h4,6,8-10,12H,1-3,5,7H2.
What are the key properties of [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 340.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 91892297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).