3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C15H17N5O2 — CID 95569796

IUPAC3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc([C@@H]2CCCN2Cc2nc(-c3ccco3)no2)cn1
InChIInChI=1S/C15H17N5O2/c1-19-9-11(8-16-19)12-4-2-6-20(12)10-14-17-15(18-22-14)13-5-3-7-21-13/h3,5,7-9,12H,2,4,6,10H2,1H3/t12-/m0/s1
InChIKeyBQPTUGFJBWPOON-LBPRGKRZSA-N
MW299.33 g/mol
LogP2.40
Rot. Bonds4

About 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95569796) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95569796
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc([C@@H]2CCCN2Cc2nc(-c3ccco3)no2)cn1
InChIInChI=1S/C15H17N5O2/c1-19-9-11(8-16-19)12-4-2-6-20(12)10-14-17-15(18-22-14)13-5-3-7-21-13/h3,5,7-9,12H,2,4,6,10H2,1H3/t12-/m0/s1
InChIKeyBQPTUGFJBWPOON-LBPRGKRZSA-N
XLogP2.40
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95569796) is 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cn1cc([C@@H]2CCCN2Cc2nc(-c3ccco3)no2)cn1.
What is the InChIKey of 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BQPTUGFJBWPOON-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-19-9-11(8-16-19)12-4-2-6-20(12)10-14-17-15(18-22-14)13-5-3-7-21-13/h3,5,7-9,12H,2,4,6,10H2,1H3/t12-/m0/s1.
What are the key properties of 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95569796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).